data_2cq8_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 2cq8 _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 ' 18' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 42.0 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' C ' ' CG2' ' A' ' 20' ' ' THR . 3.4 mm? -61.28 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 17.2 p -148.91 162.55 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.18 -32.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.49 -61.04 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.73 -49.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.97 -50.25 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.483 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -56.8 -45.07 82.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.15 66.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -32.18 56.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.63 89.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 70' ' ' LEU . 10.6 t -66.49 -38.06 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -56.63 -43.18 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -57.29 -34.91 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.66 -54.76 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.412 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.5 m0 -54.42 -58.57 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.967 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -48.62 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -47.37 -47.15 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 mt -65.29 -73.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 10.2 mt -61.26 110.93 3.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -40.02 -42.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -55.52 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -28.77 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.92 148.0 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.47 109.68 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 175.93 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -4.06 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -108.06 -7.06 16.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.66 122.25 22.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' OD1' ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -88.15 126.86 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' HD22 ' A' ' 63' ' ' LEU . 67.6 t80 -57.86 -21.34 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.1 m-85 -92.05 -66.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -40.64 -46.89 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.456 ' CB ' HD12 ' A' ' 38' ' ' LEU . 4.9 m -39.62 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.34 40.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -96.38 146.47 24.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.34 -163.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 p -81.56 -7.05 59.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.6 -41.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -34.68 60.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 76.8 t -53.24 -49.3 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.04 -36.6 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -53.29 59.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 50' ' ' PHE . 3.3 tp -57.59 -47.08 83.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 48.2 t -63.82 -41.99 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.39 -42.7 87.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.42 -56.13 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.49 ' CG1' HD22 ' A' ' 74' ' ' LEU . 66.9 t -58.36 -23.29 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -64.02 -41.8 97.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.92 -22.44 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 30' ' ' VAL . 17.2 mt -67.48 -49.27 64.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.9 t -95.02 -1.92 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . 19.0 t0 61.98 68.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.33 40.81 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.49 HD22 ' CG1' ' A' ' 67' ' ' VAL . 46.4 tp -58.04 130.48 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -72.5 63.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 80' ' ' ASP . 14.5 tp -107.11 160.58 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -146.98 152.07 38.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 m120 -44.22 -34.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -48.94 76.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.471 ' CB ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -45.61 -48.18 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 48.3 t -61.88 -48.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 7.8 m-30 -62.36 -17.42 58.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -45.62 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.11 85.42 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 92.3 p -73.08 -38.96 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.419 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 2.0 p -79.03 146.65 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.462 ' CE2' HG13 ' A' ' 91' ' ' ILE . 78.1 t80 -59.51 -54.49 46.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -43.4 -56.5 4.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.5 -54.39 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -45.84 -55.44 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.462 HG13 ' CE2' ' A' ' 87' ' ' PHE . 19.5 mm -43.32 -58.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.411 ' N ' ' OE1' ' A' ' 92' ' ' GLN . 1.3 mp0 -45.46 -47.31 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -48.15 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 98' ' ' LEU . 4.0 tp -57.62 -60.66 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.523 ' CG1' ' NE ' ' A' ' 99' ' ' ARG . 60.0 t -45.09 -39.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -60.6 -45.2 94.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -69.37 -33.45 73.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 10.9 mt -68.18 -57.31 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.523 ' NE ' ' CG1' ' A' ' 95' ' ' VAL . 22.1 mtt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.5 mm? -60.57 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 12.1 p -147.39 168.69 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.44 -38.66 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 10.3 mt-10 -43.34 -50.11 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.6 mt -43.03 -52.71 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.28 -50.09 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.528 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.07 72.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.05 -32.33 61.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.31 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 HG23 ' CD1' ' A' ' 70' ' ' LEU . 13.1 t -75.01 -42.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.569 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.2 ttm180 -54.33 -39.27 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -60.57 -31.65 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.49 HG13 ' CB ' ' A' ' 66' ' ' GLU . 42.2 t -63.81 -57.68 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 11.9 m0 -49.43 -51.43 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -50.53 -62.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -51.37 -49.38 61.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 19.9 mt -60.47 -74.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 16.4 mt -60.87 111.08 3.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 -72.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 3.3 mmtt -39.72 -42.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 90.7 t -59.45 115.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -38.44 14.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -130.62 139.37 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.7 t -116.71 119.57 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.02 -171.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.19 -16.41 57.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.9 t -99.55 -3.42 33.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -64.41 149.49 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -109.24 153.74 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE1' HD21 ' A' ' 63' ' ' LEU . 19.6 t80 -87.75 -63.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.54 -58.27 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -44.3 -54.93 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 2.2 m -42.58 -69.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.79 40.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -92.35 132.91 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.06 -178.45 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -67.95 -18.55 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.952 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 m -86.62 -37.94 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.503 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 51.0 t0 -53.78 -41.65 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 85.7 t -48.18 -50.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.68 -35.51 70.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -62.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.531 HD21 ' CE1' ' A' ' 50' ' ' PHE . 3.9 tp -49.27 -49.04 45.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 53.3 t -60.84 -44.32 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.84 -41.9 97.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' CB ' HG13 ' A' ' 33' ' ' VAL . 3.3 mt-10 -61.87 -56.89 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.495 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 80.2 t -58.22 -22.47 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -63.87 -41.63 97.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.1 -23.7 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' CD1' HG23 ' A' ' 30' ' ' VAL . 15.2 mt -64.6 -50.48 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 3.1 t -95.7 -1.52 49.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 22.3 t70 61.65 69.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.77 40.52 3.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.495 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 62.2 tp -57.68 133.07 55.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.35 61.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 80' ' ' ASP . 13.4 tp -105.34 151.92 23.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.15 151.28 46.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 56.4 m-80 -46.29 -31.63 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -50.82 72.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' CB ' HD11 ' A' ' 76' ' ' LEU . 53.4 m-20 -49.05 -46.13 43.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.453 HG23 ' CG2' ' A' ' 64' ' ' VAL . 55.6 t -61.7 -44.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 19.4 m-30 -65.27 -13.39 58.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -45.43 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.13 84.46 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -72.49 -28.02 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.966 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -92.35 142.36 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 31' ' ' ARG . 54.5 t80 -55.68 -59.49 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' PHE . . . -36.22 -60.64 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -58.25 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -41.64 -55.14 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.43 HG13 ' CE2' ' A' ' 87' ' ' PHE . 23.0 mm -43.13 -55.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.36 -48.45 46.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.467 ' CD1' ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.7 -45.84 88.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 67' ' ' VAL . 4.1 tp -58.33 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.92 -41.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -59.82 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 93' ' ' LEU . 11.0 mttm -64.6 -36.84 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.528 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 16.1 mt -65.82 -56.09 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 24.5 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.7 mt-10 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 95' ' ' VAL . 2.7 mm? -68.01 178.95 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.441 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 58.2 p -131.51 -159.08 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.54 -39.87 62.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.72 -58.17 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -43.52 -52.12 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CG ' ' O ' ' A' ' 20' ' ' THR . 14.7 mt -42.23 -53.41 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.68 -47.21 79.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -60.15 -45.91 91.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.25 -36.28 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -37.22 67.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.76 91.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' CD1' ' A' ' 70' ' ' LEU . 42.8 t -63.16 -46.08 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -50.58 -40.47 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 t -61.64 -34.21 75.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 66' ' ' GLU . 45.7 t -61.58 -47.65 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.5 m0 -58.21 -58.91 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -50.45 -57.5 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -46.69 -46.52 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.8 -71.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 15.1 mt -60.77 110.76 3.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -40.48 -42.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 53.6 t -55.69 113.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.12 -32.59 18.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -138.96 147.79 42.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.85 114.11 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -111.07 -177.23 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.52 2.04 27.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -114.25 -4.16 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.0 118.95 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -87.14 118.03 26.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 55' ' ' ALA . 20.5 t80 -41.11 -41.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.3 m-85 -75.61 -63.31 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -39.21 -32.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.442 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 3.6 m -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.4 42.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . . . -91.59 127.5 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.55 -165.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -83.2 -12.58 56.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -92.73 -36.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.6 -37.12 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 87.8 t -49.74 -50.71 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.8 t -69.64 -39.61 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -54.12 -57.05 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' A' ' 34' ' ' TRP . 5.6 tp -54.01 -47.92 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 37.5 t -61.4 -39.2 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.81 -42.55 77.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.6 mt-10 -61.19 -56.91 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.508 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 94.5 t -57.5 -23.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -20.55 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 30' ' ' VAL . 16.4 mt -69.14 -49.02 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -98.39 -0.36 43.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.8 t70 62.0 77.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 85.23 40.29 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.508 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 61.7 tp -56.78 133.83 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.04 60.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.9 tp -106.99 146.19 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -123.91 145.44 49.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -41.15 -39.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -55.3 -49.34 72.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -37.92 -35.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.82 -57.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -57.25 -15.54 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -43.85 10.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 90' ' ' PHE . . . -121.41 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.401 ' OG ' ' OD2' ' A' ' 49' ' ' ASP . 85.4 p -59.02 -36.31 74.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 p -79.79 140.82 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.471 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 39.6 t80 -57.51 -54.12 50.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.01 -58.83 3.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -51.09 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' N ' ' HB3' ' A' ' 84' ' ' ALA . 77.4 t80 -47.46 -48.55 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.8 mm -53.14 -50.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -50.93 -45.32 60.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.471 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -67.2 -47.02 72.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.482 HD11 ' CG1' ' A' ' 67' ' ' VAL . 5.5 tp -58.46 -60.0 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG2' HD11 ' A' ' 19' ' ' LEU . 56.4 t -46.43 -38.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.45 -45.47 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 8.4 mttm -69.75 -34.06 73.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 74' ' ' LEU . 14.0 mt -68.2 -53.96 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 26.6 mtt180 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 32.7 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 95' ' ' VAL . 2.9 mm? -58.22 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.1 p -140.92 -162.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.82 -39.97 83.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . -86.07 -61.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 7.4 mt-10 -38.3 -49.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.2 mt -48.15 -54.67 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -51.98 -50.38 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.493 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 4.7 m -59.62 -47.2 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.09 -35.05 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -34.01 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 94' ' ' LEU . 43.4 t -64.53 -46.92 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -48.23 -40.59 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -60.83 -34.83 75.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 66' ' ' GLU . 46.8 t -60.07 -57.67 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.494 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.8 m0 -48.29 -57.26 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.061 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' LEU . 5.8 mm-40 -52.72 -59.31 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -42.76 14.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.8 mt -71.78 -71.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 6.5 mt -64.9 112.22 7.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.98 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.419 1.747 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 4.9 mtmt -40.05 -42.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -56.02 112.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mp -90.23 -34.38 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.1 tt0 -133.19 138.61 46.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 t -113.82 108.98 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -111.01 179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.63 -9.41 58.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -97.62 -15.37 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.21 121.55 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.65 120.24 33.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -44.22 -30.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.8 m-85 -86.01 -65.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -40.35 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PHE . 4.6 m -63.48 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.5 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.68 130.84 39.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.25 -162.96 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -84.61 -10.22 57.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -91.09 -39.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -34.94 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 80.6 t -53.51 -50.0 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.13 -33.52 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.03 -60.61 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tp -49.54 -45.62 47.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 81' ' ' VAL . 48.4 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.13 -41.3 99.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.47 ' CB ' HG12 ' A' ' 33' ' ' VAL . 3.2 mt-10 -61.75 -57.25 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.478 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 81.9 t -57.9 -22.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -63.74 -43.62 95.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -23.85 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 30' ' ' VAL . 16.2 mt -65.47 -49.99 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.67 -0.69 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . 11.5 t70 61.62 70.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.11 40.91 4.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 56.3 tp -56.47 141.57 42.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -80.46 59.65 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 7.3 tp -105.62 148.58 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 152.96 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 58.1 m-80 -45.44 -31.14 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -50.95 71.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -45.44 -50.16 12.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 46.8 t -57.44 -43.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 11.9 m-30 -68.54 -28.35 66.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.7 mmt -76.53 -45.34 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.442 ' HB3' ' CA ' ' A' ' 90' ' ' PHE . . . -120.35 88.54 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.411 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 97.1 p -73.18 -31.97 64.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.0 p -88.22 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' N ' ' CH2' ' A' ' 34' ' ' TRP . 33.6 t80 -48.68 -48.02 40.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.12 -64.5 3.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.69 -45.55 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CA ' ' HB3' ' A' ' 84' ' ' ALA . 71.1 t80 -55.52 -60.59 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.3 mm -41.35 -55.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -47.89 -44.49 29.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.468 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -67.88 -46.27 72.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 98' ' ' LEU . 4.4 tp -59.03 -58.13 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 19' ' ' LEU . 65.1 t -46.75 -34.27 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -67.35 -47.09 71.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 8.2 mttm -69.3 -36.03 76.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 13.8 mt -66.39 -49.38 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 80.9 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -52.35 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 61.8 p -147.86 -171.79 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.94 -35.47 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 -59.34 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 7.4 mt-10 -41.8 -47.02 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.65 -58.02 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -51.51 -48.41 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.48 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -59.01 -42.08 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.74 84.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -32.87 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.67 86.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 70' ' ' LEU . 17.3 t -66.84 -41.76 88.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -58.38 -36.61 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -63.83 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG13 ' CB ' ' A' ' 66' ' ' GLU . 46.0 t -65.82 -45.88 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 63' ' ' LEU . 12.2 m0 -58.35 -56.67 19.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -58.35 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -52.74 -43.9 66.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 58.7 mt -64.73 -72.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 13.0 mt -65.82 112.67 9.39 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -41.44 -41.75 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 76.2 t -59.05 117.68 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 -27.07 18.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.98 147.01 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.16 105.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -173.77 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.49 -19.18 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -93.87 -8.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.51 116.18 23.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 44.1 t80 -45.25 -28.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 17.2 m-85 -87.12 -66.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PHE . 28.7 mttt -38.97 -39.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.471 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 3.2 m -51.3 -72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.63 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.02 -166.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -77.65 -13.34 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.54 -40.0 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.8 m-20 -52.95 -34.44 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 ' CE1' ' A' ' 82' ' ' TYR . 63.1 t -61.72 -54.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 t -69.49 -38.31 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.08 -39.46 94.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 34' ' ' TRP . 12.7 tp -68.78 -51.1 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.472 HG12 ' CD2' ' A' ' 76' ' ' LEU . 30.7 t -60.63 -37.41 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -37.63 82.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' CB ' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -65.36 -56.17 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.508 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 57.8 t -57.48 -22.71 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.7 -25.15 61.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 30' ' ' VAL . 17.7 mt -63.57 -50.7 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.5 t -94.37 -3.59 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.3 t0 61.4 66.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 101.8 39.13 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.508 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 54.8 tp -58.31 138.77 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.43 58.75 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' CD2' HG12 ' A' ' 64' ' ' VAL . 10.9 tp -105.51 157.86 17.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.54 157.38 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -51.35 -32.39 25.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.2 -47.77 82.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -46.95 -45.22 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.42 -48.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' HG11 ' A' ' 60' ' ' VAL . 14.3 m-30 -60.25 -14.3 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.04 -44.42 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB2' ' N ' ' A' ' 90' ' ' PHE . . . -120.14 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.4 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 90.1 p -74.34 -41.21 61.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 p -75.51 147.0 40.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 61.8 t80 -59.38 -47.26 86.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.87 -50.37 44.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' N ' ' HB2' ' A' ' 84' ' ' ALA . 61.7 t80 -57.87 -58.61 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.514 HG13 ' CE2' ' A' ' 87' ' ' PHE . 25.4 mm -42.31 -54.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -49.37 -45.57 46.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.418 HD13 ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -66.55 -47.28 73.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.469 HD13 ' CG1' ' A' ' 67' ' ' VAL . 6.4 tp -58.01 -60.62 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.66 -35.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.418 ' NZ ' HD13 ' A' ' 93' ' ' LEU . 10.2 mttp -68.48 -35.55 77.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 13.9 mt -67.49 -51.06 55.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 74.1 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 10.3 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.2 mm? -60.07 -177.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ALA . 29.2 p -143.86 158.93 43.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.34 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.93 -61.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' THR . 11.9 mm-40 -50.24 -48.81 54.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.9 mt -40.69 -44.5 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.08 -45.31 87.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.457 HG23 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -61.32 -44.41 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.27 -34.37 70.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.05 -32.06 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.29 87.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 94' ' ' LEU . 23.1 t -60.63 -41.59 88.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -52.48 -42.91 64.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -57.92 -34.73 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 66' ' ' GLU . 40.8 t -61.81 -57.19 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.2 m0 -52.95 -55.34 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -51.06 -61.48 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -47.23 -34.63 6.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.484 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 50.9 mt -78.21 -76.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 41.0 mt -51.6 104.71 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -72.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -40.7 -33.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 64.3 t -68.42 136.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -97.51 -46.17 6.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.4 tt0 -135.43 143.24 45.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -102.24 118.13 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 0.8 OUTLIER -104.74 -176.44 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 110.334 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.9 -18.94 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 -3.19 45.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.408 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -71.93 132.4 44.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.368 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' OD1' ' CG2' ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.04 121.8 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.573 ' CE1' HD22 ' A' ' 63' ' ' LEU . 54.2 t80 -49.28 -35.81 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.6 m-85 -81.3 -67.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 19.5 mtmt -41.05 -38.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.473 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 3.7 m -52.99 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.74 41.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -91.39 134.47 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.6 -177.59 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 p -67.73 -17.07 64.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -90.38 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.493 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 47.8 t0 -54.71 -39.38 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.3 t -48.24 -51.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.1 t -68.71 -42.19 82.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -54.3 -50.98 66.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 50' ' ' PHE . 2.5 tp -54.72 -56.71 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.425 ' CG2' HD21 ' A' ' 76' ' ' LEU . 21.7 t -56.08 -51.13 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.93 -49.51 71.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.2 mm-40 -51.6 -59.2 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.556 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 89.2 t -50.37 -45.9 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -40.34 -36.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.34 -44.41 45.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' VAL . 19.6 mt -49.32 -52.18 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.508 ' HB3' ' CB ' ' A' ' 74' ' ' LEU . 19.8 t -85.43 -26.81 26.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 18.8 t70 63.22 54.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.82 37.02 0.49 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.556 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 1.8 tp -90.01 164.0 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 16.9 pt-20 -108.8 115.23 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 80' ' ' ASP . 9.9 tp -154.26 141.34 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -126.43 155.07 42.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 67.4 m-80 -48.92 -32.48 9.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -44.77 87.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' CB ' HD13 ' A' ' 76' ' ' LEU . 82.3 m-20 -55.01 -40.02 69.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.09 -40.88 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 12.1 m-30 -68.12 -16.55 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.5 tpt -92.57 -47.78 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.85 83.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 62.5 p -72.93 -31.51 64.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.472 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -84.41 142.46 30.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 91' ' ' ILE . 69.9 t80 -54.65 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -37.64 -56.04 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.43 -53.38 58.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -47.93 -58.96 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 87' ' ' PHE . 25.3 mm -40.67 -55.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -48.66 -47.59 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.419 HD13 ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -65.45 -46.55 79.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' CD2' HG22 ' A' ' 30' ' ' VAL . 3.8 tp -58.78 -58.52 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.7 t -46.49 -41.84 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -60.87 -41.1 95.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' NZ ' HD13 ' A' ' 93' ' ' LEU . 13.8 mttp -69.84 -39.6 76.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.457 ' CD1' HG23 ' A' ' 26' ' ' THR . 19.5 mt -63.67 -61.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 94.4 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 95' ' ' VAL . 2.5 mm? -60.83 179.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -135.62 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -40.03 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.65 -59.6 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -39.62 -52.12 2.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -44.73 -55.53 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -50.99 -47.5 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.442 HG22 ' CD1' ' A' ' 98' ' ' LEU . 4.4 m -62.34 -44.54 96.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.82 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -38.1 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG22 ' CD2' ' A' ' 94' ' ' LEU . 41.2 t -65.19 -46.1 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -48.8 -38.11 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -63.39 -31.85 73.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.448 HG13 ' CB ' ' A' ' 66' ' ' GLU . 46.2 t -62.57 -46.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.5 m0 -60.91 -57.58 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.7 mm-40 -51.13 -55.86 15.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -53.42 -34.81 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 52.5 mt -75.35 -64.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 5.9 mt -75.86 113.82 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -41.47 -40.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 83.6 t -59.51 118.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.09 -25.07 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -143.02 148.85 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 2.6 t -122.33 81.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -177.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.13 -6.74 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -9.45 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.64 121.81 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' OD1' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -84.01 129.76 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.519 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 49.9 t80 -66.76 -18.83 65.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.8 m-85 -93.2 -65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PHE . 6.4 mptt -40.04 -44.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.472 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.7 m -42.94 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.05 40.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -88.81 144.5 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.44 -167.93 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -73.37 -20.58 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.23 -35.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.496 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.9 m-20 -56.88 -34.05 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG12 ' CE1' ' A' ' 82' ' ' TYR . 72.0 t -62.48 -55.85 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 12.8 t -68.1 -37.57 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 tp -65.04 -57.13 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.442 ' CG2' HD23 ' A' ' 76' ' ' LEU . 23.7 t -55.35 -40.28 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.3 mm-40 -63.5 -40.68 97.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' HG13 ' A' ' 33' ' ' VAL . 1.5 mt-10 -64.22 -56.08 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 94' ' ' LEU . 54.4 t -58.59 -22.75 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -63.78 -42.86 97.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.7 -24.49 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' A' ' 30' ' ' VAL . 13.7 mt -64.88 -50.22 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 t -94.39 -1.0 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.1 t0 61.05 68.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 97.88 40.09 3.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD21 ' CG1' ' A' ' 67' ' ' VAL . 36.8 tp -57.35 138.03 55.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 59.61 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.442 HD23 ' CG2' ' A' ' 64' ' ' VAL . 11.2 tp -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.44 154.88 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -45.23 -33.57 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -48.64 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -48.47 -44.97 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.64 -46.49 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' HG12 ' A' ' 60' ' ' VAL . 17.5 m-30 -60.95 -13.31 15.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.34 91.65 3.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 79.5 p -79.13 -37.2 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -81.81 132.75 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.462 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 29.3 t80 -43.83 -59.81 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.31 -55.8 2.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -61.08 -51.27 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' ILE . 83.0 t80 -51.56 -60.94 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' PHE . 14.9 mm -40.03 -54.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -48.32 -49.4 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.467 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.6 -47.9 81.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 67' ' ' VAL . 4.1 tp -55.78 -58.12 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 19' ' ' LEU . 69.2 t -45.39 -50.07 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -43.51 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 11.5 mttm -72.14 -50.97 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.463 ' CG ' HD12 ' A' ' 94' ' ' LEU . 12.4 mt -51.88 -44.38 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 95' ' ' VAL . 2.9 mm? -70.94 176.21 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -131.19 -168.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.86 -37.27 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.74 -65.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' THR . 7.7 mt-10 -38.71 -53.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' GLU . 18.3 mt -40.15 -50.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.37 -45.6 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.522 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -64.26 -44.83 90.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.93 68.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.7 -34.04 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 70' ' ' LEU . 18.1 t -64.02 -45.95 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -48.32 -44.05 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -55.29 -36.28 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG13 ' CB ' ' A' ' 66' ' ' GLU . 38.1 t -61.86 -53.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.481 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.35 -54.57 34.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -55.13 -57.31 12.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -47.53 33.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.438 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 58.1 mt -66.98 -71.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 14.2 mt -58.02 109.65 1.96 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.97 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -39.43 -42.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 73.5 t -56.73 105.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.91 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -150.56 142.27 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 45' ' ' GLU . 2.2 t -105.63 160.58 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 7.4 pt-20 -152.41 -174.16 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -81.83 -19.03 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 -5.47 48.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -71.33 130.85 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.88 114.08 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CE1' HD22 ' A' ' 63' ' ' LEU . 32.2 t80 -40.85 -36.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.5 m-85 -81.03 -67.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -41.79 -33.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.7 m -60.59 -73.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.01 41.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -93.37 134.33 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.33 -169.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.2 p -73.41 -19.32 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 m -88.77 -37.01 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 52.7 t0 -55.17 -39.79 69.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.492 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 78.0 t -51.39 -53.04 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.19 -37.51 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -65.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.575 HD22 ' CE1' ' A' ' 50' ' ' PHE . 2.9 tp -47.12 -44.84 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 61.8 t -64.5 -45.81 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.18 -41.23 99.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' CB ' HG13 ' A' ' 33' ' ' VAL . 3.4 mt-10 -63.95 -55.83 19.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 94' ' ' LEU . 68.8 t -58.36 -20.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -65.88 -45.74 80.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.26 -22.13 65.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 30' ' ' VAL . 13.1 mt -66.38 -49.28 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.6 t -98.49 3.03 48.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 7.4 t70 62.33 75.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 83.77 42.21 7.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 67' ' ' VAL . 60.6 tp -53.46 142.06 23.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -78.73 60.02 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 11.5 tp -103.5 163.43 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.77 162.77 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.75 -36.88 67.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.63 -41.78 97.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.05 -38.54 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 64' ' ' VAL . 71.3 t -71.89 -51.83 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -55.94 -17.11 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -44.3 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB2' ' N ' ' A' ' 90' ' ' PHE . . . -117.58 90.96 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 77.1 p -79.31 -32.56 43.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.4 p -84.16 141.35 31.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 91' ' ' ILE . 63.3 t80 -50.25 -60.45 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -60.42 2.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.83 -55.2 32.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' N ' ' HB2' ' A' ' 84' ' ' ALA . 79.6 t80 -50.34 -55.41 15.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 87' ' ' PHE . 27.8 mm -44.92 -51.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -49.08 -49.39 41.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.486 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.0 tp -57.37 -59.87 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 19' ' ' LEU . 78.5 t -45.67 -48.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.05 -47.02 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.36 -43.93 76.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.522 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 13.5 mt -58.11 -46.44 85.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.427 ' NE ' ' OE2' ' A' ' 23' ' ' GLU . 57.5 mtt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 11.5 pt-20 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.1 mm? -56.01 175.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.5 p -134.84 -158.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.39 -39.56 62.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 -59.37 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -42.87 -53.5 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' GLU . 12.6 mt -39.95 -52.86 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.33 -48.11 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -60.28 -45.91 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.22 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -37.16 69.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.57 89.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.424 HG22 ' CD2' ' A' ' 94' ' ' LEU . 22.5 t -60.42 -44.04 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.78 -41.28 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -59.0 -35.01 72.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 66' ' ' GLU . 44.8 t -59.72 -50.81 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 m0 -57.99 -58.9 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -49.55 -51.52 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 34.2 mt -62.97 -72.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 20.8 mt -57.84 110.05 2.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -72.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 43.6 mttm -40.26 -41.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 68.9 t -59.39 115.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -29.3 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.3 tt0 -137.4 139.25 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 t -114.07 112.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -112.28 -172.88 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.55 -18.66 58.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.19 -7.27 45.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -73.94 123.61 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.23 123.35 39.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 35.2 t80 -54.02 -30.79 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.3 m-30 -82.88 -63.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -44.17 -39.52 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.466 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 3.8 m -50.83 -39.98 54.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 124.99 40.91 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -95.38 130.58 42.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.6 164.76 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 p -53.02 -16.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -59.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 2.3 m-20 -47.09 -34.28 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 55.9 t -49.33 -46.27 18.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.4 t -72.87 -37.81 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 2.6 ttt85 -59.38 -56.99 15.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -53.73 -55.18 28.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 55.4 t -55.17 -40.08 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.58 -39.44 80.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.2 mt-10 -64.45 -56.81 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 49.3 t -57.4 -21.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.12 -41.43 94.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.59 -22.38 61.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.45 -50.14 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.9 t -95.85 -1.52 49.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.5 t70 61.85 69.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.36 39.52 4.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 56.2 tp -57.1 130.55 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.56 59.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 tp -103.3 158.7 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -147.37 152.61 38.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -46.85 -30.31 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -37.1 85.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -55.98 -47.6 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.457 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 48.2 t -62.45 -46.45 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 8.8 m-30 -60.93 -20.44 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -46.63 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -119.55 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 32.4 p -75.81 -34.21 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 p -85.4 144.98 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 91' ' ' ILE . 50.6 t80 -53.4 -62.87 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.69 -52.85 2.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -64.34 -47.95 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 70.3 t80 -54.58 -55.26 31.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.426 HG13 ' CE2' ' A' ' 87' ' ' PHE . 29.4 mm -44.1 -58.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -45.81 -45.18 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -66.6 -46.33 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.471 HD12 ' CG1' ' A' ' 67' ' ' VAL . 3.7 tp -59.09 -59.12 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 19' ' ' LEU . 74.4 t -44.83 -38.91 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -62.26 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 10.0 mttp -64.42 -38.14 89.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 74' ' ' LEU . 14.8 mt -62.29 -54.79 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 89.2 mtt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.2 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CB ' HD23 ' A' ' 24' ' ' LEU . 4.5 mm? -57.28 -178.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 22' ' ' ALA . 59.9 p -148.72 163.55 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -48.02 -22.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 20' ' ' THR . . . -88.68 -64.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.461 ' CB ' HD12 ' A' ' 19' ' ' LEU . 4.0 mm-40 -53.31 -46.18 69.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 19' ' ' LEU . 13.8 mt -42.56 -41.7 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.3 -45.29 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' GLU . 12.5 m -62.71 -48.46 79.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.43 -34.29 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.23 -39.35 48.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.69 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' CD1' ' A' ' 70' ' ' LEU . 49.2 t -66.39 -40.12 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -54.69 -36.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -65.86 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.432 HG12 ' CB ' ' A' ' 66' ' ' GLU . 46.8 t -63.51 -46.22 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 12.5 m0 -62.12 -56.29 20.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.028 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -53.06 -59.34 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -49.12 -43.5 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.413 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 19.4 mt -69.84 -71.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 14.1 mt -61.45 110.89 3.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -71.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 8.6 mttm -39.36 -43.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 67.3 t -54.73 113.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -30.36 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -146.61 151.41 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.67 127.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -172.53 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -78.04 -20.8 51.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -13.03 38.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -65.59 128.33 35.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 t70 -105.15 120.54 41.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE1' HD23 ' A' ' 63' ' ' LEU . 33.9 t80 -45.67 -30.23 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 26.1 m-85 -85.99 -62.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 1.3 mmtt -40.57 -33.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 m -60.99 -49.01 79.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 130.29 41.71 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.11 130.69 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 58' ' ' VAL . . . -89.04 164.72 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.2 m -52.9 -16.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -73.9 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -48.97 -33.15 10.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 75.9 t -49.9 -44.03 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.0 t -75.02 -36.22 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -58.79 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 50' ' ' PHE . 3.8 tp -51.48 -49.82 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 54.6 t -59.91 -42.9 90.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.01 -41.03 91.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' CB ' HG12 ' A' ' 33' ' ' VAL . 1.2 mm-40 -62.23 -56.79 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 74' ' ' LEU . 87.4 t -57.43 -22.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -64.91 -44.15 90.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.08 -20.97 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.438 ' CD1' ' CG2' ' A' ' 30' ' ' VAL . 13.4 mt -68.74 -47.89 65.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.3 t -98.86 1.95 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . 14.1 t0 61.25 73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 87.58 41.68 6.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 67' ' ' VAL . 58.9 tp -54.58 143.35 24.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.7 60.93 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 80' ' ' ASP . 12.3 tp -108.15 160.97 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.51 152.31 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -48.1 -32.05 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.53 -42.82 99.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.465 ' CB ' HD12 ' A' ' 76' ' ' LEU . 64.4 m-20 -53.18 -45.56 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 85.8 t -61.98 -42.75 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -66.19 -18.08 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.79 -44.42 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 90' ' ' PHE . . . -116.69 86.37 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.501 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 60.8 p -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 p -82.25 143.99 30.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -53.94 -58.54 6.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.82 -55.81 2.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -49.49 74.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.416 ' N ' ' HB2' ' A' ' 84' ' ' ALA . 77.7 t80 -52.7 -58.83 5.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 mm -42.83 -52.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -48.98 -48.77 42.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.408 HD12 ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.0 -48.77 77.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.459 HD13 ' CG1' ' A' ' 67' ' ' VAL . 4.4 tp -54.76 -59.46 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG1' ' NE ' ' A' ' 99' ' ' ARG . 52.5 t -45.57 -50.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -51.87 -50.61 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' CE ' HD12 ' A' ' 93' ' ' LEU . 49.5 mttm -62.68 -44.01 97.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 74' ' ' LEU . 8.2 mt -54.55 -58.42 7.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.467 ' NE ' ' CG1' ' A' ' 95' ' ' VAL . 26.5 mtt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 4.0 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.5 mm? -66.48 -176.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.2 p -145.98 165.07 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.26 -37.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.63 -62.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 4.6 mt-10 -42.7 -48.07 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.33 -51.54 19.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.36 -50.98 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.46 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 5.4 m -58.17 -45.46 87.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.67 75.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.75 -32.99 70.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.92 73.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 t -73.89 -40.95 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.486 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.8 ttm180 -53.05 -39.99 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.04 -44.35 97.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.51 ' HA ' ' CG ' ' A' ' 36' ' ' ARG . 30.5 t -55.85 -33.16 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 87' ' ' PHE . 10.9 m0 -74.87 -43.17 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.51 -57.83 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' CG ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.69 -25.43 27.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.405 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 32.8 mt -87.45 -38.59 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' TRP . 11.7 mt -104.38 104.68 46.01 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.445 ' C ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -65.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -39.6 -30.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' C ' ' A' ' 39' ' ' PRO . 72.9 t -73.31 107.94 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -35.73 62.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.61 146.81 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.84 150.3 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 -177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.19 2.06 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -106.81 -18.67 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.22 134.68 49.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.452 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -101.07 120.83 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -37.95 -46.54 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 32.4 m-85 -71.82 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 mmpt? -40.17 -43.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 m -55.18 -63.47 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.86 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.54 121.97 34.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.21 -166.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 p -81.28 -10.65 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.27 -37.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -39.6 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 85.4 t -49.33 -52.45 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.75 -38.08 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.28 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 34' ' ' TRP . 6.6 tp -52.38 -46.42 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 92.8 t -61.89 -35.69 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.63 -46.69 36.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' CB ' HG13 ' A' ' 33' ' ' VAL . 2.2 mt-10 -54.44 -58.48 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.535 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 92.9 t -53.16 -35.61 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.14 -35.08 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.81 -32.17 52.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 19.6 mt -56.14 -45.1 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.507 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 3.5 t -100.32 -13.37 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.3 t70 61.59 61.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.18 33.38 1.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 55.9 tp -62.28 150.78 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -96.16 69.37 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 80' ' ' ASP . 16.1 tp -111.28 160.34 17.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.9 pt-20 -144.62 146.82 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -47.18 -33.59 5.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 3.8 pt-20 -62.01 -38.97 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' CB ' HD12 ' A' ' 76' ' ' LEU . 69.8 m-20 -56.15 -44.25 79.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.38 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 79' ' ' GLU . 21.9 m-30 -64.96 -14.9 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -45.07 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -114.63 83.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.425 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 60.9 p -73.32 -31.76 64.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.414 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 3.2 p -85.08 130.4 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 86.5 t80 -46.39 -54.97 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.37 -61.18 2.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -57.51 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 78.3 t80 -41.48 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.2 mm -42.49 -57.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.17 -48.59 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.61 -57.37 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.5 t -45.18 -41.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -59.96 -50.56 73.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -62.84 -46.39 88.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.507 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 17.5 mt -57.39 -55.68 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 88.0 mtt180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' C ' ' CG2' ' A' ' 20' ' ' THR . 2.8 mm? -55.77 169.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 24' ' ' LEU . 1.3 p -153.24 164.38 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.7 OUTLIER -34.31 -46.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.45 -68.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' THR . 3.4 mt-10 -43.96 -51.52 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 20' ' ' THR . 6.6 mp -40.01 -55.32 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -46.35 -43.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.55 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.8 m -76.5 -42.24 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.06 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.7 mm-40 -85.64 -38.18 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.71 -38.93 92.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 70' ' ' LEU . 52.9 t -67.56 -43.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -53.75 -38.99 64.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 t -64.61 -31.95 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 66' ' ' GLU . 47.2 t -62.61 -46.7 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -62.99 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.02 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -52.68 -57.28 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -50.03 -44.83 51.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.45 -72.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 7.4 mt -64.91 112.25 7.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.41 -42.65 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.59 114.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.12 -32.98 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.2 tt0 -136.14 140.43 43.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.5 t -114.12 106.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -99.8 -172.12 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -12.46 59.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -101.25 -2.97 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.81 116.09 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.44 124.02 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 63' ' ' LEU . 32.9 t80 -52.67 -22.77 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 29.2 m-85 -91.81 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PHE . 15.2 mtmt -39.35 -34.11 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.2 m -58.48 -70.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 42.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -94.75 130.53 41.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.05 -163.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.4 -15.66 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -85.74 -36.62 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -34.5 67.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 88.4 t -54.03 -50.96 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.404 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 24.8 t -70.13 -35.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -57.63 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 50' ' ' PHE . 3.7 tp -53.63 -50.01 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 81' ' ' VAL . 43.2 t -61.58 -47.07 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.8 mm-40 -60.79 -40.8 93.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.465 ' CB ' HG12 ' A' ' 33' ' ' VAL . 2.3 mt-10 -61.06 -57.28 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.491 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 67.3 t -59.14 -22.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -63.29 -42.15 99.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.51 -25.59 63.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD1' HG22 ' A' ' 30' ' ' VAL . 34.9 mt -61.95 -51.27 68.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 3.8 t -95.13 -3.16 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.9 t0 62.27 67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.43 39.59 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.491 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 57.7 tp -57.68 138.8 55.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.81 63.18 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 tp -109.69 149.6 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -137.23 153.96 50.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 44.4 m-80 -47.32 -31.28 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -48.45 -51.27 27.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 57.5 t -55.99 -43.99 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 17.8 m-30 -67.83 -24.46 65.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mmt -84.37 -42.83 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.94 84.11 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 80.9 p -72.51 -35.28 68.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 p -82.96 144.13 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -57.02 -55.34 35.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.37 -58.22 3.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -59.81 -51.54 69.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -50.15 -59.33 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.1 mm -40.26 -56.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.2 mp0 -47.07 -49.87 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.417 HD12 ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.1 -46.7 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.486 HD13 ' CG1' ' A' ' 67' ' ' VAL . 2.8 tp -58.18 -59.67 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 19' ' ' LEU . 71.2 t -44.44 -41.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -61.78 -52.71 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' CE ' HD12 ' A' ' 93' ' ' LEU . 47.8 mttm -60.62 -44.92 95.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.55 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 15.9 mt -59.35 -54.64 44.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD13 ' CG2' ' A' ' 95' ' ' VAL . 3.0 mm? -52.48 166.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.513 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.1 p -151.3 161.92 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -33.95 -42.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -70.48 -67.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.5 mm-40 -48.21 -49.77 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 20' ' ' THR . 6.9 mp -40.27 -53.38 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 22' ' ' ALA . 54.7 t -48.64 -43.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 23' ' ' GLU . 1.4 m -75.9 -41.27 52.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.11 -21.17 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mm-40 -88.03 -36.9 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.79 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 70' ' ' LEU . 15.0 t -67.14 -40.84 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -55.11 -43.12 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -59.04 -35.68 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 ' CB ' ' A' ' 66' ' ' GLU . 45.7 t -59.9 -50.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.506 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.8 m0 -56.32 -60.01 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -52.3 -57.71 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -40.3 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.408 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 68.4 mt -76.64 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 19.6 mt -61.13 111.13 3.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -41.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.9 t -59.28 115.61 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -27.14 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -140.82 139.19 34.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -112.62 114.0 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 11.4 pm0 -103.04 -177.17 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.2 -19.1 54.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.8 t -97.81 -0.83 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.406 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -75.89 121.41 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -88.98 125.81 35.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 39.5 t80 -54.81 -35.73 64.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.9 m-85 -76.7 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -41.85 -46.88 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.404 ' CB ' HD13 ' A' ' 38' ' ' LEU . 20.9 m -44.34 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.1 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.99 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.46 -163.95 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 p -81.2 -13.58 58.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -88.69 -42.27 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.1 m-20 -51.17 -44.18 61.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.511 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 55.5 t -46.06 -51.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 t -66.75 -39.18 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -64.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.497 HD21 ' CZ ' ' A' ' 50' ' ' PHE . 3.3 tp -47.02 -46.96 22.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 58.2 t -63.12 -49.06 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 2.1 mm-40 -58.64 -45.77 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' HG11 ' A' ' 33' ' ' VAL . 3.5 mt-10 -59.88 -55.58 32.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 94' ' ' LEU . 40.0 t -57.24 -23.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -65.97 -44.3 85.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.79 -16.75 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 30' ' ' VAL . 16.2 mt -73.33 -46.55 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -100.96 6.3 43.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 55.9 t0 61.64 79.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 73.76 44.49 31.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD2' HG11 ' A' ' 67' ' ' VAL . 40.0 tp -51.55 160.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 7.1 pt-20 -93.27 61.5 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 80' ' ' ASP . 15.1 tp -108.71 160.5 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.79 155.21 38.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 66.9 m-80 -50.97 -31.31 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.474 ' CB ' HD13 ' A' ' 76' ' ' LEU . 63.0 m-20 -54.01 -47.8 71.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.84 -43.94 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.4 ' CG ' ' O ' ' A' ' 78' ' ' ASN . 14.1 m-30 -62.75 -13.32 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -45.52 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.81 84.79 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.551 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 58.0 p -74.8 -31.32 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.3 p -84.43 144.82 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -55.6 -58.35 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.52 -54.11 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -61.47 -50.27 73.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -54.06 -55.83 23.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.3 mm -42.86 -55.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -48.22 -50.92 27.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.439 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.64 -47.86 81.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 67' ' ' VAL . 2.6 tp -56.88 -62.72 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 19' ' ' LEU . 70.6 t -39.78 -50.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -51.58 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 12.2 mttp -60.83 -26.01 67.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD1' HG22 ' A' ' 26' ' ' THR . 8.7 mt -76.01 -50.35 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 23' ' ' GLU . 2.5 mm? -60.77 178.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' ALA . 49.1 p -146.77 159.03 44.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.85 -29.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.45 -62.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 10.5 mm-40 -47.9 -47.03 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 mt -46.85 -40.69 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 66.9 t -70.98 -32.76 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 98' ' ' LEU . 1.1 m -74.24 -44.28 53.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.36 82.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.8 pt-20 -56.07 -35.24 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . -61.02 -38.99 88.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 94' ' ' LEU . 40.6 t -67.08 -43.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 9.5 ttm180 -49.22 -41.98 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -58.99 -35.36 73.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG11 ' CB ' ' A' ' 66' ' ' GLU . 42.1 t -61.3 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.409 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 10.6 m0 -62.6 -53.49 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.64 6.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -50.57 -48.18 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 38' ' ' LEU . 11.6 mt -63.3 -74.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 53' ' ' SER . 18.9 mt -59.81 110.2 2.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -71.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -40.14 -40.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 92.8 t -62.76 120.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -95.62 -33.21 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.24 141.03 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.65 115.38 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.12 -171.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -75.51 -20.31 58.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.33 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.93 115.66 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.02 114.21 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD23 ' A' ' 63' ' ' LEU . 32.3 t80 -41.74 -28.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 21.4 m-85 -88.14 -67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -41.66 -29.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PHE . 4.8 p -62.61 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.65 40.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -92.01 130.14 37.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.01 -164.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -82.46 -8.75 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -92.12 -42.96 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -52.49 -37.73 57.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -50.23 -46.52 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.06 -35.07 47.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD23 ' CE1' ' A' ' 50' ' ' PHE . 3.0 tp -47.18 -46.69 23.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG2' ' CG2' ' A' ' 81' ' ' VAL . 66.6 t -66.51 -55.82 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.56 -39.43 49.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.0 mm-40 -64.46 -55.69 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG1' HD21 ' A' ' 74' ' ' LEU . 48.6 t -58.1 -20.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -66.0 -41.79 90.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.06 -17.83 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' A' ' 30' ' ' VAL . 13.0 mt -70.18 -48.96 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.2 t -103.85 5.76 36.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 53.9 t0 60.97 89.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.59 38.82 68.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD21 ' CG1' ' A' ' 67' ' ' VAL . 58.8 tp -50.21 135.03 21.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -69.68 62.22 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.416 HD23 ' CG1' ' A' ' 64' ' ' VAL . 9.3 tp -113.08 151.48 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -138.85 157.28 46.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -49.53 -33.21 14.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.9 90.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -50.29 -42.29 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 87.9 t -65.22 -45.75 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -62.77 -19.66 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.8 tpp -89.43 -44.3 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.79 91.5 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.523 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 97.9 p -78.29 -31.52 48.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -87.87 143.14 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' ' 91' ' ' ILE . 65.7 t80 -55.24 -51.03 67.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.49 -57.37 7.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -61.18 -46.43 90.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -55.2 -56.72 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 87' ' ' PHE . 23.4 mm -40.8 -54.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -50.14 -52.78 32.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -60.63 -47.9 84.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 30' ' ' VAL . 3.4 tp -56.21 -62.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.2 t -42.22 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -51.46 -47.6 63.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.427 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 12.0 mttp -65.2 -24.76 67.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 26' ' ' THR . 31.5 mt -78.92 -52.05 8.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.493 HD12 ' CG2' ' A' ' 95' ' ' VAL . 2.4 mm? -60.66 167.13 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.511 ' N ' HD13 ' A' ' 24' ' ' LEU . 8.5 p -151.19 163.0 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -34.82 -40.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.74 -67.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.5 mm-40 -48.85 -49.09 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 20' ' ' THR . 7.3 mp -40.01 -53.27 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.73 -43.92 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.2 m -75.01 -42.53 57.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.39 -23.79 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.96 -38.33 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 HG23 ' CD1' ' A' ' 70' ' ' LEU . 18.9 t -65.24 -41.47 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 7.8 ttp85 -55.96 -42.28 76.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -59.12 -34.47 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG11 ' CB ' ' A' ' 66' ' ' GLU . 44.2 t -60.46 -53.7 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -52.15 -60.51 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -52.06 -51.08 59.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.59 -42.64 71.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.0 mt -72.1 -68.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 53' ' ' SER . 6.8 mt -67.16 112.34 9.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 -69.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' PRO . 2.0 mttt -38.82 -43.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.2 t -53.54 112.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.5 -33.09 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -144.3 153.38 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 2.2 t -115.11 127.42 72.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -130.6 -178.02 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.42 -23.41 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -29.08 32.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 m -54.21 119.89 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -102.71 111.81 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CE1' HD23 ' A' ' 63' ' ' LEU . 17.9 t80 -33.44 -39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 25.9 m-85 -76.85 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -38.83 -40.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.471 ' CB ' HD11 ' A' ' 38' ' ' LEU . 5.5 m -55.61 -71.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.48 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.25 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.13 -165.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -80.83 -12.87 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -88.66 -39.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -36.47 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 53.3 t -51.8 -49.72 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.69 -35.32 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -55.83 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD23 ' CE1' ' A' ' 50' ' ' PHE . 3.7 tp -55.58 -49.91 71.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 44.6 t -61.82 -43.82 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -63.98 -40.69 96.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.9 mt-10 -62.78 -56.45 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 94' ' ' LEU . 81.2 t -59.71 -18.16 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -67.42 -46.61 72.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.41 -18.88 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 14.6 mt -67.93 -48.06 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -105.85 9.74 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 45.3 t0 61.35 86.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.06 43.08 91.61 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD2' HG11 ' A' ' 67' ' ' VAL . 50.7 tp -49.12 142.87 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -74.15 61.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 80' ' ' ASP . 12.2 tp -110.19 150.61 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.7 pt-20 -138.22 150.92 47.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -44.07 -31.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' CB ' HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -48.82 -46.81 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 57.5 t -63.38 -50.3 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.83 -26.86 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 15.2 tpt -83.02 -43.04 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.85 96.29 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.49 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 96.6 p -83.42 -29.11 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.412 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 27.3 p -87.7 140.18 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 31' ' ' ARG . 40.1 t80 -50.76 -52.12 43.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.39 -58.13 6.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.38 -46.39 88.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.13 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.9 mm -40.73 -51.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -49.77 -48.18 50.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.08 -47.42 80.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.7 tp -57.08 -56.02 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 19' ' ' LEU . 71.6 t -47.64 -43.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.57 -51.82 68.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.407 ' CE ' HD12 ' A' ' 93' ' ' LEU . 53.2 mttm -62.19 -46.43 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 26' ' ' THR . 40.8 mt -53.12 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' C ' ' CG2' ' A' ' 20' ' ' THR . 2.9 mm? -56.99 170.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.507 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.48 163.92 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -33.88 -46.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.46 -68.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.9 mt-10 -43.32 -51.27 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 20' ' ' THR . 6.5 mp -39.15 -56.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.76 -44.86 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.535 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -75.13 -39.97 60.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.89 -21.75 66.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.2 mm-40 -87.42 -35.63 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.94 -29.73 70.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 70' ' ' LEU . 7.9 t -75.6 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.63 -38.16 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -63.81 -29.79 70.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 ' CB ' ' A' ' 66' ' ' GLU . 45.4 t -65.72 -51.9 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.37 -60.51 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -48.18 -58.57 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.97 -41.2 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.3 mt -71.85 -71.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 53' ' ' SER . 10.7 mt -64.39 111.95 6.68 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -40.06 -42.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 70.1 t -57.85 112.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.84 -30.27 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 148.35 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.52 126.09 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.59 -174.43 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -75.75 -19.0 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -88.89 -15.05 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -66.71 116.7 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.31 113.42 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CE1' HD21 ' A' ' 63' ' ' LEU . 31.7 t80 -38.59 -33.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.9 m-85 -84.67 -67.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PHE . 23.7 mtmt -39.63 -31.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 38' ' ' LEU . 4.3 m -61.05 -72.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.38 41.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.89 134.5 40.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.17 -160.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.7 m -85.76 -9.36 57.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -93.05 -31.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.9 92.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 78' ' ' ASN . 43.8 t -47.0 -52.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' GLU . 17.6 t -67.98 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -58.84 -56.79 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 HD21 ' CE1' ' A' ' 50' ' ' PHE . 3.4 tp -54.03 -51.15 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 36.5 t -59.91 -43.26 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' VAL . 2.5 mm-40 -62.8 -42.62 99.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' HG11 ' A' ' 33' ' ' VAL . 1.7 mt-10 -62.05 -54.04 47.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.509 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 58.6 t -60.42 -22.47 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -64.63 -39.95 94.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.84 -19.4 60.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' A' ' 30' ' ' VAL . 14.4 mt -69.96 -49.09 55.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -99.42 -0.23 41.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.335 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.2 t70 62.37 80.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 82.98 38.83 10.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.509 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 59.9 tp -55.52 129.51 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.48 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.32 143.75 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.69 168.88 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.453 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 5.6 m-20 -62.83 -36.22 82.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -59.52 -48.63 80.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' GLU . 46.6 m-20 -38.96 -33.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.7 t -73.01 -53.63 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 36.3 m-85 -56.07 -17.05 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -47.2 7.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 90' ' ' PHE . . . -111.76 65.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.0 p -53.95 -40.84 67.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 p -79.17 136.3 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.571 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 58.7 t80 -53.88 -46.87 71.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -50.0 -57.05 10.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -61.08 -45.36 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.434 ' HA ' ' CB ' ' A' ' 84' ' ' ALA . 72.9 t80 -53.75 -54.15 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 87' ' ' PHE . 23.7 mm -43.15 -59.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.437 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.2 mp0 -45.0 -49.58 11.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.402 HD12 ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -61.83 -46.21 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.1 tp -59.75 -60.34 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.49 ' CG2' HD13 ' A' ' 19' ' ' LEU . 81.8 t -44.47 -37.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -63.95 -49.47 72.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.402 ' NZ ' HD12 ' A' ' 93' ' ' LEU . 10.5 mttp -64.75 -29.91 70.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.535 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 14.6 mt -72.41 -53.56 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' A' ' 95' ' ' VAL . 2.8 mm? -64.74 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -145.99 165.1 29.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -34.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -61.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HB3' HD13 ' A' ' 19' ' ' LEU . 6.2 mt-10 -45.09 -49.49 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 mt -42.28 -50.27 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.79 -50.39 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.9 m -58.21 -45.18 88.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -33.51 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -37.54 64.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.96 78.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 94' ' ' LEU . 24.4 t -72.13 -45.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' CG ' HG11 ' A' ' 44' ' ' VAL . 8.8 ttm180 -51.99 -40.62 61.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.31 -35.12 74.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.447 HG11 ' CB ' ' A' ' 66' ' ' GLU . 45.3 t -62.48 -44.52 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.2 m0 -59.2 -61.33 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -48.8 -50.08 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -56.57 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.431 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 10.8 mt -73.02 -71.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 10.9 mt -64.64 111.51 5.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -71.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.3 mmmt -39.44 -43.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 72.8 t -55.56 109.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -35.86 39.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -137.49 149.86 47.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.43 HG11 ' CG ' ' A' ' 31' ' ' ARG . 2.4 t -121.8 122.04 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -119.51 -175.86 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -74.62 -37.69 62.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.35 128.67 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' OD1' ' OG ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -100.23 118.29 36.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CE1' HD22 ' A' ' 63' ' ' LEU . 50.1 t80 -48.15 -22.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.2 m-85 -91.04 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -37.65 -42.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.461 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.6 m -47.27 -52.34 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 134.22 42.27 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -98.34 136.38 38.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.32 167.52 11.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -54.82 -15.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -58.68 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -47.4 -32.69 5.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.7 t -50.38 -45.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.87 -36.67 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -56.72 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 HD22 ' CE1' ' A' ' 50' ' ' PHE . 4.1 tp -51.97 -55.81 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 76' ' ' LEU . 45.2 t -56.02 -46.87 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.29 -39.89 88.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.7 mt-10 -64.56 -55.86 17.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 94' ' ' LEU . 60.4 t -58.58 -20.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.38 -44.06 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -22.89 63.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.22 -49.97 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.94 -0.79 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.4 t0 62.46 70.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 92.36 41.23 4.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 67' ' ' VAL . 65.2 tp -56.24 131.43 47.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.95 59.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 12.5 tp -103.24 158.7 16.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.6 pt-20 -144.77 149.08 34.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -44.81 -30.87 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.38 -43.63 98.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -48.23 -47.33 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.455 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 57.7 t -61.5 -51.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -55.49 -27.87 51.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.99 -40.82 16.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.72 93.44 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.7 p -77.98 -55.85 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.9 p -65.84 146.44 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 91' ' ' ILE . 69.5 t80 -56.0 -53.14 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.34 -57.08 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.1 -56.1 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' ILE . 59.0 t80 -45.09 -59.67 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 87' ' ' PHE . 30.0 mm -39.93 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.0 mp0 -46.63 -44.07 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -45.99 72.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.478 HD13 ' CG1' ' A' ' 67' ' ' VAL . 4.4 tp -59.84 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.404 HG23 ' CD1' ' A' ' 19' ' ' LEU . 77.6 t -46.36 -41.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -59.64 -46.96 87.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -67.78 -36.26 80.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' CG ' HD11 ' A' ' 94' ' ' LEU . 15.7 mt -67.63 -50.39 58.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 87.9 mtt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.511 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 4.5 mm? -64.85 162.23 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.49 ' N ' HD13 ' A' ' 24' ' ' LEU . 31.0 p -152.58 162.94 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' THR . 1.2 tt0 -34.49 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -69.15 -70.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 3.9 mm-40 -53.13 -46.87 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 6.0 mp -40.56 -50.93 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 t -51.15 -42.97 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' GLU . 3.3 m -77.72 -42.11 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -62.78 -24.16 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 6.8 mm-40 -86.85 -37.58 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.85 -33.75 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 70' ' ' LEU . 96.8 t -71.96 -42.18 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 87' ' ' PHE . 7.9 ttm180 -54.16 -33.85 58.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.56 -29.25 62.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.471 HG12 ' CB ' ' A' ' 66' ' ' GLU . 67.0 t -65.6 -47.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.538 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 10.8 m0 -59.16 -59.94 4.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -49.72 -58.66 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -46.2 -48.67 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.93 -72.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 10.5 mt -61.82 110.75 3.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.98 -70.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' PRO . 7.6 mmpt? -38.61 -43.52 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 59.5 t -52.32 111.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -26.27 27.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -151.39 151.88 32.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.45 110.46 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -96.43 -174.64 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.49 -19.97 48.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 25.1 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.94 102.66 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.14 120.33 13.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CE1' HD22 ' A' ' 63' ' ' LEU . 62.8 t80 -57.96 -17.67 18.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.8 m-30 -93.45 -66.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -39.82 -41.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -45.12 -72.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.29 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -94.98 137.93 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.01 -162.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -82.3 -15.04 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.17 -37.39 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.24 -37.93 70.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 82.0 t -51.16 -52.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.2 t -68.65 -36.29 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -59.93 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 50' ' ' PHE . 3.4 tp -51.2 -47.05 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 45.9 t -63.04 -46.71 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 2.2 mm-40 -61.71 -44.24 97.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' CB ' HG12 ' A' ' 33' ' ' VAL . 2.5 mt-10 -61.93 -55.38 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.472 ' CG1' HD12 ' A' ' 94' ' ' LEU . 51.2 t -57.52 -21.87 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.36 -44.55 78.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.34 -12.59 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.41 ' CD1' HG22 ' A' ' 30' ' ' VAL . 16.2 mt -77.25 -45.96 24.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -107.53 14.24 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 61.87 95.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 50.87 45.2 49.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 71' ' ' CYS . 18.0 tp -47.02 155.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 36.9 mt-10 -86.31 61.03 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.479 HD12 ' CD ' ' A' ' 97' ' ' LYS . 7.4 tp -107.44 156.58 18.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.49 153.23 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -44.97 -34.42 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.4 -47.76 80.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -48.69 -48.08 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 61.6 t -62.03 -50.35 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -62.44 -14.39 40.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -44.35 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.25 81.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.1 p -66.05 -53.49 37.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.3 p -68.54 149.03 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 5.0 t80 -58.66 -57.71 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.21 -55.03 3.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.74 -47.84 81.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CE1' ' OD2' ' A' ' 80' ' ' ASP . 68.0 t80 -54.47 -57.84 9.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 28.0 mm -41.39 -54.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -48.34 -50.65 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.07 -50.1 71.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 98' ' ' LEU . 1.4 tp -52.76 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.431 ' CG2' HD11 ' A' ' 19' ' ' LEU . 42.2 t -42.3 -53.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -48.26 -43.08 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.479 ' CD ' HD12 ' A' ' 76' ' ' LEU . 46.8 mttm -68.61 -41.4 79.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 94' ' ' LEU . 18.4 mt -54.87 -60.08 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -64.16 178.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 22' ' ' ALA . 30.6 p -142.01 158.84 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -28.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.26 -61.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 4.8 mm-40 -48.78 -45.63 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 10.7 mt -47.98 -39.61 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 55.5 t -71.97 -33.16 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -72.92 -44.35 61.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.54 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 9.7 pt-20 -55.66 -34.91 65.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.08 -33.97 77.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 70' ' ' LEU . 21.2 t -72.39 -42.21 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.6 ttm180 -55.01 -39.36 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -62.41 -31.87 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.08 -46.59 95.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.503 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.6 m0 -61.53 -58.2 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -49.58 -56.22 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -51.53 -45.29 62.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 21.6 mt -69.18 -71.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 17.5 mt -58.53 110.05 2.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -40.16 -42.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 98.9 t -58.96 115.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -27.03 21.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -146.26 141.54 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG2' HG13 ' A' ' 41' ' ' VAL . 2.4 t -114.55 134.61 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -125.67 -178.96 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.53 4.66 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -111.55 -16.9 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 157.15 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' OD2' ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -116.19 124.0 49.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CE1' HD22 ' A' ' 63' ' ' LEU . 75.3 t80 -55.23 -20.91 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.9 m-85 -92.9 -67.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 1.4 mptp? -41.43 -39.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 m -48.55 -51.44 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.46 42.15 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.1 166.76 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -53.85 -16.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.432 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 75.8 t -48.97 -45.49 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.7 t -73.82 -36.67 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -51.5 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.571 HD22 ' CE1' ' A' ' 50' ' ' PHE . 5.5 tp -56.82 -51.03 70.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.427 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 36.2 t -59.86 -40.71 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.94 -38.33 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.01 -54.7 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.505 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 58.7 t -59.88 -21.54 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -63.58 -42.07 98.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -24.89 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 30' ' ' VAL . 17.9 mt -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.8 t -95.91 -2.55 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' LYS . 20.4 t70 61.66 68.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 98.14 40.73 3.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 53.5 tp -58.37 138.46 56.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -77.46 56.84 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 tp -103.31 154.44 19.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -141.27 147.58 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -41.42 -32.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -59.33 -48.57 81.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.09 -48.13 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 57.8 t -60.53 -49.0 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 79' ' ' GLU . 16.1 m-30 -60.51 -17.41 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -46.14 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 83.77 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.545 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 89.7 p -69.56 -38.69 77.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.426 ' CG2' ' OD2' ' A' ' 49' ' ' ASP . 1.9 p -80.63 141.75 34.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 91' ' ' ILE . 74.3 t80 -56.04 -50.88 69.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.405 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -47.92 -52.97 15.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -40.05 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.58 -53.48 57.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.54 HG13 ' CE2' ' A' ' 87' ' ' PHE . 19.6 mm -44.34 -56.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.6 mp0 -47.85 -48.6 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.47 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.4 -45.05 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.4 tp -60.2 -59.04 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.0 t -47.26 -36.5 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -47.76 76.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 10.0 mttm -66.67 -31.9 72.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 26' ' ' THR . 31.4 mt -71.26 -53.5 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 72.8 mtt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' C ' ' CG2' ' A' ' 20' ' ' THR . 4.5 mm? -63.37 163.44 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 1.6 p -153.58 164.95 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.4 OUTLIER -35.2 -39.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.97 -72.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -51.77 -47.84 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 5.9 mp -40.21 -51.61 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 t -50.85 -42.35 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.1 m -78.46 -42.76 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.87 -26.23 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.2 mm-40 -82.9 -37.7 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.32 85.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 70' ' ' LEU . 39.5 t -63.56 -40.99 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -39.83 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -62.25 -32.52 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG12 ' CB ' ' A' ' 66' ' ' GLU . 44.3 t -62.69 -50.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.56 -45.23 85.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mm-40 -61.53 -57.73 10.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -53.0 -43.35 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' ' OD1' ' A' ' 59' ' ' ASP . 25.3 mt -64.52 -70.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 6.2 mt -68.89 113.24 14.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -40.17 -41.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.5 109.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.36 -32.09 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.16 138.59 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -112.81 123.46 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -120.56 -171.69 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -78.4 -19.15 53.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -88.8 -15.03 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 133.29 54.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.59 122.41 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD21 ' A' ' 63' ' ' LEU . 23.4 t80 -45.03 -36.46 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' LYS . 26.6 m-85 -83.06 -65.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PHE . 21.5 mttt -39.12 -33.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.9 m -62.91 -74.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.41 40.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -87.75 139.58 30.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.46 -174.49 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -71.17 -17.09 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -90.72 -33.29 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 50.1 t0 -59.31 -36.33 75.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 64.2 t -52.06 -51.68 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 39.8 t -68.81 -33.48 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -61.76 -56.95 14.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 50' ' ' PHE . 3.3 tp -56.35 -49.69 73.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 38.5 t -61.34 -40.73 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.5 mm-40 -67.93 -40.46 83.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' CB ' HG12 ' A' ' 33' ' ' VAL . 3.0 mt-10 -64.44 -56.43 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 94' ' ' LEU . 89.6 t -59.27 -17.6 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -68.14 -48.96 63.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -17.92 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.438 ' CD1' HG22 ' A' ' 30' ' ' VAL . 13.3 mt -68.53 -47.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.0 t -104.53 9.87 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' LYS . 28.6 t0 62.24 81.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.4 44.96 57.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 98' ' ' LEU . 44.7 tp -50.15 149.96 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.06 60.21 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 93' ' ' LEU . 9.2 tp -109.01 147.16 32.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.25 156.58 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.98 -32.67 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -50.57 73.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -45.63 -51.67 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.469 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 59.6 t -55.92 -46.23 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -65.63 -27.57 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.82 -38.59 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -127.05 92.67 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -77.46 -31.83 54.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.5 p -86.26 147.38 26.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -57.26 -56.61 19.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.75 -59.66 2.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.58 -50.38 74.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.338 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -52.19 -61.65 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.4 mm -40.07 -54.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -48.95 -47.71 43.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -64.04 -45.78 87.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.473 HD12 ' CG1' ' A' ' 67' ' ' VAL . 3.2 tp -59.23 -57.77 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 19' ' ' LEU . 76.5 t -46.51 -35.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -50.48 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.461 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 14.2 mttm -63.92 -33.76 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 26' ' ' THR . 41.9 mt -67.65 -58.89 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -41.87 143.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -132.23 157.75 43.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.93 140.3 11.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t 54.34 101.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.66 160.59 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.95 68.24 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -105.54 131.67 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -169.75 132.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -40.51 139.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.55 99.68 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.38 107.34 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.48 82.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -132.03 178.32 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 16' ' ' VAL . 66.4 m 62.77 111.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 15' ' ' SER . 48.4 t 59.24 152.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD22 ' NH1' ' A' ' 99' ' ' ARG . 24.5 mt -87.88 158.01 18.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 42.0 mt-10 -104.87 117.12 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' C ' ' CG2' ' A' ' 20' ' ' THR . 3.4 mm? -61.28 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 17.2 p -148.91 162.55 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.18 -32.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.49 -61.04 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.73 -49.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.97 -50.25 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.483 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -56.8 -45.07 82.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.15 66.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -32.18 56.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.63 89.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 70' ' ' LEU . 10.6 t -66.49 -38.06 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -56.63 -43.18 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -57.29 -34.91 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.66 -54.76 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.412 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.5 m0 -54.42 -58.57 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.967 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -48.62 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -47.37 -47.15 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 mt -65.29 -73.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 10.2 mt -61.26 110.93 3.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -40.02 -42.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -55.52 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -28.77 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.92 148.0 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.47 109.68 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 175.93 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -4.06 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -108.06 -7.06 16.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.66 122.25 22.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' OD1' ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -88.15 126.86 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' HD22 ' A' ' 63' ' ' LEU . 67.6 t80 -57.86 -21.34 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.1 m-85 -92.05 -66.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -40.64 -46.89 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.456 ' CB ' HD12 ' A' ' 38' ' ' LEU . 4.9 m -39.62 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.34 40.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -96.38 146.47 24.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.34 -163.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 p -81.56 -7.05 59.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.6 -41.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -34.68 60.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 76.8 t -53.24 -49.3 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.04 -36.6 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -53.29 59.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 50' ' ' PHE . 3.3 tp -57.59 -47.08 83.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 48.2 t -63.82 -41.99 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.39 -42.7 87.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.42 -56.13 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.49 ' CG1' HD22 ' A' ' 74' ' ' LEU . 66.9 t -58.36 -23.29 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -64.02 -41.8 97.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.92 -22.44 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 30' ' ' VAL . 17.2 mt -67.48 -49.27 64.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.9 t -95.02 -1.92 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . 19.0 t0 61.98 68.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.33 40.81 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.49 HD22 ' CG1' ' A' ' 67' ' ' VAL . 46.4 tp -58.04 130.48 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -72.5 63.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 80' ' ' ASP . 14.5 tp -107.11 160.58 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -146.98 152.07 38.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 m120 -44.22 -34.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -48.94 76.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' CB ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -45.61 -48.18 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 48.3 t -61.88 -48.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 7.8 m-30 -62.36 -17.42 58.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -45.62 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.11 85.42 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 92.3 p -73.08 -38.96 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.419 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 2.0 p -79.03 146.65 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.462 ' CE2' HG13 ' A' ' 91' ' ' ILE . 78.1 t80 -59.51 -54.49 46.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -43.4 -56.5 4.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.5 -54.39 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -45.84 -55.44 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.462 HG13 ' CE2' ' A' ' 87' ' ' PHE . 19.5 mm -43.32 -58.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.411 ' N ' ' OE1' ' A' ' 92' ' ' GLN . 1.3 mp0 -45.46 -47.31 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -48.15 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 98' ' ' LEU . 4.0 tp -57.62 -60.66 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.523 ' CG1' ' NE ' ' A' ' 99' ' ' ARG . 60.0 t -45.09 -39.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -60.6 -45.2 94.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -69.37 -33.45 73.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 10.9 mt -68.18 -57.31 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' NE ' ' CG1' ' A' ' 95' ' ' VAL . 22.1 mtt180 -45.87 -51.53 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.0 -69.28 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 t0 61.84 169.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 67.56 128.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.72 165.17 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.01 96.27 6.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.9 t -48.02 132.98 15.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.32 -144.57 12.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.56 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.11 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 t -58.09 -57.66 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.01 144.7 31.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 m -113.66 111.04 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.93 159.06 8.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -91.5 149.24 21.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.75 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -79.11 100.38 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 59.56 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.05 -53.53 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -94.3 145.12 24.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mttm 63.19 148.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.6 -65.66 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 67.32 97.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.27 63.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.95 146.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p 56.03 167.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.955 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG23 ' NE2' ' A' ' 92' ' ' GLN . 2.2 p -129.58 132.61 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 11.4 mt -75.79 169.84 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.0 tt0 -111.24 119.54 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.5 mm? -60.57 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 12.1 p -147.39 168.69 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.44 -38.66 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 10.3 mt-10 -43.34 -50.11 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.6 mt -43.03 -52.71 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.28 -50.09 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.528 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.07 72.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.05 -32.33 61.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.31 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG23 ' CD1' ' A' ' 70' ' ' LEU . 13.1 t -75.01 -42.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.569 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.2 ttm180 -54.33 -39.27 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -60.57 -31.65 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.49 HG13 ' CB ' ' A' ' 66' ' ' GLU . 42.2 t -63.81 -57.68 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 11.9 m0 -49.43 -51.43 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -50.53 -62.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -51.37 -49.38 61.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 19.9 mt -60.47 -74.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 16.4 mt -60.87 111.08 3.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 -72.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 3.3 mmtt -39.72 -42.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 90.7 t -59.45 115.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -38.44 14.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -130.62 139.37 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.7 t -116.71 119.57 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.02 -171.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.19 -16.41 57.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.9 t -99.55 -3.42 33.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -64.41 149.49 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -109.24 153.74 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE1' HD21 ' A' ' 63' ' ' LEU . 19.6 t80 -87.75 -63.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.54 -58.27 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -44.3 -54.93 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 2.2 m -42.58 -69.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.79 40.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -92.35 132.91 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.06 -178.45 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -67.95 -18.55 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.952 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 m -86.62 -37.94 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.503 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 51.0 t0 -53.78 -41.65 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 85.7 t -48.18 -50.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.68 -35.51 70.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -62.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.531 HD21 ' CE1' ' A' ' 50' ' ' PHE . 3.9 tp -49.27 -49.04 45.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 53.3 t -60.84 -44.32 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.84 -41.9 97.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' CB ' HG13 ' A' ' 33' ' ' VAL . 3.3 mt-10 -61.87 -56.89 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.495 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 80.2 t -58.22 -22.47 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -63.87 -41.63 97.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.1 -23.7 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' CD1' HG23 ' A' ' 30' ' ' VAL . 15.2 mt -64.6 -50.48 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 3.1 t -95.7 -1.52 49.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 22.3 t70 61.65 69.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.77 40.52 3.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.495 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 62.2 tp -57.68 133.07 55.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.35 61.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 80' ' ' ASP . 13.4 tp -105.34 151.92 23.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.15 151.28 46.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 56.4 m-80 -46.29 -31.63 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -50.82 72.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' CB ' HD11 ' A' ' 76' ' ' LEU . 53.4 m-20 -49.05 -46.13 43.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.453 HG23 ' CG2' ' A' ' 64' ' ' VAL . 55.6 t -61.7 -44.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 19.4 m-30 -65.27 -13.39 58.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -45.43 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.13 84.46 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -72.49 -28.02 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.966 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -92.35 142.36 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 31' ' ' ARG . 54.5 t80 -55.68 -59.49 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' PHE . . . -36.22 -60.64 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -58.25 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -41.64 -55.14 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.43 HG13 ' CE2' ' A' ' 87' ' ' PHE . 23.0 mm -43.13 -55.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.432 ' NE2' HG23 ' A' ' 16' ' ' VAL . 4.8 mm100 -49.36 -48.45 46.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.467 ' CD1' ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.7 -45.84 88.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 67' ' ' VAL . 4.1 tp -58.33 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.92 -41.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 3.7 mtt180 -59.82 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 93' ' ' LEU . 11.0 mttm -64.6 -36.84 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.528 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 16.1 mt -65.82 -56.09 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 24.5 mtt180 -46.19 -51.62 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.92 70.16 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t0 60.83 161.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.97 136.58 35.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 103.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.63 158.31 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.1 135.46 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.28 38.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 58.06 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.94 174.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.3 t -160.35 -61.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -177.0 118.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.785 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -175.92 124.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.88 107.05 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -117.56 155.89 29.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -52.62 -71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.2 135.32 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 4.2 p90 -72.13 143.75 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.86 125.34 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt 40.34 -159.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.96 -103.64 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.58 151.0 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.53 -61.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m 61.06 121.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.72 150.74 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.1 mt -101.34 143.29 31.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.7 mt-10 -86.03 114.71 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 95' ' ' VAL . 2.7 mm? -68.01 178.95 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.441 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 58.2 p -131.51 -159.08 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.54 -39.87 62.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.72 -58.17 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -43.52 -52.12 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CG ' ' O ' ' A' ' 20' ' ' THR . 14.7 mt -42.23 -53.41 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.68 -47.21 79.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -60.15 -45.91 91.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.25 -36.28 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -37.22 67.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.76 91.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' CD1' ' A' ' 70' ' ' LEU . 42.8 t -63.16 -46.08 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -50.58 -40.47 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 t -61.64 -34.21 75.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 66' ' ' GLU . 45.7 t -61.58 -47.65 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.5 m0 -58.21 -58.91 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -50.45 -57.5 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -46.69 -46.52 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.8 -71.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 15.1 mt -60.77 110.76 3.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -40.48 -42.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 53.6 t -55.69 113.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.12 -32.59 18.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -138.96 147.79 42.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.85 114.11 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -111.07 -177.23 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.52 2.04 27.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -114.25 -4.16 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.0 118.95 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -87.14 118.03 26.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 55' ' ' ALA . 20.5 t80 -41.11 -41.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.3 m-85 -75.61 -63.31 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -39.21 -32.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.442 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 3.6 m -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.4 42.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . . . -91.59 127.5 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.55 -165.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -83.2 -12.58 56.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -92.73 -36.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.6 -37.12 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 87.8 t -49.74 -50.71 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.8 t -69.64 -39.61 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -54.12 -57.05 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' A' ' 34' ' ' TRP . 5.6 tp -54.01 -47.92 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 37.5 t -61.4 -39.2 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.81 -42.55 77.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.6 mt-10 -61.19 -56.91 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.508 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 94.5 t -57.5 -23.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -20.55 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 30' ' ' VAL . 16.4 mt -69.14 -49.02 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -98.39 -0.36 43.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.8 t70 62.0 77.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 85.23 40.29 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.508 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 61.7 tp -56.78 133.83 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.04 60.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.9 tp -106.99 146.19 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -123.91 145.44 49.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -41.15 -39.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -55.3 -49.34 72.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -37.92 -35.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.82 -57.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -57.25 -15.54 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -43.85 10.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 90' ' ' PHE . . . -121.41 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.401 ' OG ' ' OD2' ' A' ' 49' ' ' ASP . 85.4 p -59.02 -36.31 74.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 p -79.79 140.82 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.471 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 39.6 t80 -57.51 -54.12 50.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.01 -58.83 3.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -51.09 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' N ' ' HB3' ' A' ' 84' ' ' ALA . 77.4 t80 -47.46 -48.55 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.8 mm -53.14 -50.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -50.93 -45.32 60.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.471 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -67.2 -47.02 72.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.482 HD11 ' CG1' ' A' ' 67' ' ' VAL . 5.5 tp -58.46 -60.0 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG2' HD11 ' A' ' 19' ' ' LEU . 56.4 t -46.43 -38.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.45 -45.47 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 8.4 mttm -69.75 -34.06 73.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 74' ' ' LEU . 14.0 mt -68.2 -53.96 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 26.6 mtt180 -50.19 -50.31 49.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.1 95.99 0.58 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -126.21 130.32 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.51 106.2 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.29 119.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.45 -63.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.0 p -87.24 133.04 33.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.69 -174.88 15.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.05 42.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -60.95 151.26 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t 70.57 -65.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -165.0 141.95 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p 58.96 113.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.63 165.19 40.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.15 160.57 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.035 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -151.89 85.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.94 117.24 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.155 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -91.86 143.9 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -90.04 -53.87 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 104.42 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.02 154.12 40.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.2 -60.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.8 171.33 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.32 129.43 15.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.559 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 52.9 p -125.77 103.52 7.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.559 ' CG1' ' O ' ' A' ' 15' ' ' SER . 10.6 p 49.87 173.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 51.5 mt -131.43 146.48 52.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 32.7 mt-10 -94.91 116.06 28.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 95' ' ' VAL . 2.9 mm? -58.22 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.1 p -140.92 -162.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.82 -39.97 83.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . -86.07 -61.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 7.4 mt-10 -38.3 -49.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.2 mt -48.15 -54.67 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -51.98 -50.38 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.493 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 4.7 m -59.62 -47.2 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.09 -35.05 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -34.01 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 94' ' ' LEU . 43.4 t -64.53 -46.92 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -48.23 -40.59 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -60.83 -34.83 75.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 66' ' ' GLU . 46.8 t -60.07 -57.67 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.494 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.8 m0 -48.29 -57.26 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.061 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' LEU . 5.8 mm-40 -52.72 -59.31 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -42.76 14.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.8 mt -71.78 -71.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 6.5 mt -64.9 112.22 7.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.98 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.419 1.747 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 4.9 mtmt -40.05 -42.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -56.02 112.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mp -90.23 -34.38 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.1 tt0 -133.19 138.61 46.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 t -113.82 108.98 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -111.01 179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.63 -9.41 58.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -97.62 -15.37 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.21 121.55 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.65 120.24 33.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -44.22 -30.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.8 m-85 -86.01 -65.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -40.35 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PHE . 4.6 m -63.48 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.5 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.68 130.84 39.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.25 -162.96 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -84.61 -10.22 57.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -91.09 -39.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -34.94 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 80.6 t -53.51 -50.0 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.13 -33.52 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.03 -60.61 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tp -49.54 -45.62 47.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 81' ' ' VAL . 48.4 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.13 -41.3 99.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.47 ' CB ' HG12 ' A' ' 33' ' ' VAL . 3.2 mt-10 -61.75 -57.25 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.478 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 81.9 t -57.9 -22.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -63.74 -43.62 95.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -23.85 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 30' ' ' VAL . 16.2 mt -65.47 -49.99 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.67 -0.69 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . 11.5 t70 61.62 70.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.11 40.91 4.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 56.3 tp -56.47 141.57 42.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -80.46 59.65 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 7.3 tp -105.62 148.58 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 152.96 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 58.1 m-80 -45.44 -31.14 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -50.95 71.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -45.44 -50.16 12.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 46.8 t -57.44 -43.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 11.9 m-30 -68.54 -28.35 66.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.7 mmt -76.53 -45.34 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.442 ' HB3' ' CA ' ' A' ' 90' ' ' PHE . . . -120.35 88.54 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.411 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 97.1 p -73.18 -31.97 64.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.0 p -88.22 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' N ' ' CH2' ' A' ' 34' ' ' TRP . 33.6 t80 -48.68 -48.02 40.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.12 -64.5 3.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.69 -45.55 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CA ' ' HB3' ' A' ' 84' ' ' ALA . 71.1 t80 -55.52 -60.59 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.3 mm -41.35 -55.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.454 ' CG ' HG21 ' A' ' 16' ' ' VAL . 1.8 mp0 -47.89 -44.49 29.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.468 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -67.88 -46.27 72.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 98' ' ' LEU . 4.4 tp -59.03 -58.13 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 19' ' ' LEU . 65.1 t -46.75 -34.27 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 1.1 mtt-85 -67.35 -47.09 71.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 8.2 mttm -69.3 -36.03 76.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 13.8 mt -66.39 -49.38 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 80.9 mtt180 -60.58 -45.53 93.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.41 121.15 2.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -165.37 146.04 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.98 116.23 31.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -81.57 -10.76 59.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.47 146.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.54 142.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.95 148.53 20.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.24 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.08 121.21 39.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.03 139.13 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.78 65.02 0.25 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -127.37 163.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -126.55 156.59 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.48 -158.43 34.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 52.16 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 53.88 169.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.17 71.33 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.19 155.9 22.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.48 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.57 172.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.62 148.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.21 167.69 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.69 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 49.4 mt -87.92 146.24 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.4 tt0 -96.97 120.01 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -52.35 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 61.8 p -147.86 -171.79 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.94 -35.47 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 -59.34 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 7.4 mt-10 -41.8 -47.02 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.65 -58.02 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -51.51 -48.41 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.48 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -59.01 -42.08 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.74 84.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -32.87 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.67 86.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 70' ' ' LEU . 17.3 t -66.84 -41.76 88.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -58.38 -36.61 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -63.83 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG13 ' CB ' ' A' ' 66' ' ' GLU . 46.0 t -65.82 -45.88 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 63' ' ' LEU . 12.2 m0 -58.35 -56.67 19.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -58.35 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -52.74 -43.9 66.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 58.7 mt -64.73 -72.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 13.0 mt -65.82 112.67 9.39 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -41.44 -41.75 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 76.2 t -59.05 117.68 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 -27.07 18.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.98 147.01 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.16 105.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -173.77 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.49 -19.18 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -93.87 -8.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.51 116.18 23.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 44.1 t80 -45.25 -28.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 17.2 m-85 -87.12 -66.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PHE . 28.7 mttt -38.97 -39.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.471 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 3.2 m -51.3 -72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.63 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.02 -166.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -77.65 -13.34 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.54 -40.0 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.8 m-20 -52.95 -34.44 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 ' CE1' ' A' ' 82' ' ' TYR . 63.1 t -61.72 -54.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 t -69.49 -38.31 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.08 -39.46 94.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 34' ' ' TRP . 12.7 tp -68.78 -51.1 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.472 HG12 ' CD2' ' A' ' 76' ' ' LEU . 30.7 t -60.63 -37.41 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -37.63 82.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' CB ' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -65.36 -56.17 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.508 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 57.8 t -57.48 -22.71 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.7 -25.15 61.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 30' ' ' VAL . 17.7 mt -63.57 -50.7 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.5 t -94.37 -3.59 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.3 t0 61.4 66.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 101.8 39.13 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.508 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 54.8 tp -58.31 138.77 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.43 58.75 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' CD2' HG12 ' A' ' 64' ' ' VAL . 10.9 tp -105.51 157.86 17.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.54 157.38 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -51.35 -32.39 25.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.2 -47.77 82.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -46.95 -45.22 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.42 -48.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' HG11 ' A' ' 60' ' ' VAL . 14.3 m-30 -60.25 -14.3 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.04 -44.42 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB2' ' N ' ' A' ' 90' ' ' PHE . . . -120.14 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.4 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 90.1 p -74.34 -41.21 61.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 p -75.51 147.0 40.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 61.8 t80 -59.38 -47.26 86.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.87 -50.37 44.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' N ' ' HB2' ' A' ' 84' ' ' ALA . 61.7 t80 -57.87 -58.61 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.514 HG13 ' CE2' ' A' ' 87' ' ' PHE . 25.4 mm -42.31 -54.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -49.37 -45.57 46.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.418 HD13 ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -66.55 -47.28 73.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.469 HD13 ' CG1' ' A' ' 67' ' ' VAL . 6.4 tp -58.01 -60.62 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.66 -35.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 2.2 mtt85 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' NZ ' HD13 ' A' ' 93' ' ' LEU . 10.2 mttp -68.48 -35.55 77.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 13.9 mt -67.49 -51.06 55.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 74.1 mtt180 -55.5 -48.14 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.81 129.19 4.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 179.62 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -173.83 167.65 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.16 74.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.238 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -126.81 176.48 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 m 61.46 143.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -176.57 -84.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.67 13.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.3 m 56.72 -178.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.02 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.054 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -95.32 111.61 23.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -79.35 -58.87 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.29 -94.81 0.89 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.411 1.069 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 109.63 20.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -177.73 -58.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.07 -160.15 28.19 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -107.17 142.61 36.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.22 -56.85 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -141.48 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.84 -72.52 0.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.79 126.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.04 166.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 m -50.91 -58.49 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.87 168.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.61 148.03 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.5 mt -91.94 140.77 29.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 10.3 pt-20 -99.51 124.58 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.2 mm? -60.07 -177.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ALA . 29.2 p -143.86 158.93 43.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.34 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.93 -61.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' THR . 11.9 mm-40 -50.24 -48.81 54.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.9 mt -40.69 -44.5 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.08 -45.31 87.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.457 HG23 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -61.32 -44.41 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.27 -34.37 70.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.05 -32.06 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.29 87.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 94' ' ' LEU . 23.1 t -60.63 -41.59 88.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -52.48 -42.91 64.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -57.92 -34.73 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 66' ' ' GLU . 40.8 t -61.81 -57.19 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.2 m0 -52.95 -55.34 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -51.06 -61.48 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -47.23 -34.63 6.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.484 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 50.9 mt -78.21 -76.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 41.0 mt -51.6 104.71 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -72.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -40.7 -33.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 64.3 t -68.42 136.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -97.51 -46.17 6.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.4 tt0 -135.43 143.24 45.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -102.24 118.13 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 0.8 OUTLIER -104.74 -176.44 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 110.334 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.9 -18.94 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 -3.19 45.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.408 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -71.93 132.4 44.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.368 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' OD1' ' CG2' ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.04 121.8 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.573 ' CE1' HD22 ' A' ' 63' ' ' LEU . 54.2 t80 -49.28 -35.81 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.6 m-85 -81.3 -67.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 19.5 mtmt -41.05 -38.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.473 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 3.7 m -52.99 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.74 41.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -91.39 134.47 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.6 -177.59 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 p -67.73 -17.07 64.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -90.38 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.493 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 47.8 t0 -54.71 -39.38 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.3 t -48.24 -51.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.1 t -68.71 -42.19 82.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -54.3 -50.98 66.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 50' ' ' PHE . 2.5 tp -54.72 -56.71 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.425 ' CG2' HD21 ' A' ' 76' ' ' LEU . 21.7 t -56.08 -51.13 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.93 -49.51 71.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.2 mm-40 -51.6 -59.2 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.556 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 89.2 t -50.37 -45.9 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -40.34 -36.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.34 -44.41 45.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' VAL . 19.6 mt -49.32 -52.18 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.508 ' HB3' ' CB ' ' A' ' 74' ' ' LEU . 19.8 t -85.43 -26.81 26.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 18.8 t70 63.22 54.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.82 37.02 0.49 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.556 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 1.8 tp -90.01 164.0 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 16.9 pt-20 -108.8 115.23 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 80' ' ' ASP . 9.9 tp -154.26 141.34 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -126.43 155.07 42.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 67.4 m-80 -48.92 -32.48 9.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -44.77 87.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' CB ' HD13 ' A' ' 76' ' ' LEU . 82.3 m-20 -55.01 -40.02 69.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.09 -40.88 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 12.1 m-30 -68.12 -16.55 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.5 tpt -92.57 -47.78 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.85 83.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 62.5 p -72.93 -31.51 64.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.472 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -84.41 142.46 30.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 91' ' ' ILE . 69.9 t80 -54.65 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -37.64 -56.04 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.43 -53.38 58.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -47.93 -58.96 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 87' ' ' PHE . 25.3 mm -40.67 -55.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -48.66 -47.59 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.419 HD13 ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -65.45 -46.55 79.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' CD2' HG22 ' A' ' 30' ' ' VAL . 3.8 tp -58.78 -58.52 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.7 t -46.49 -41.84 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -60.87 -41.1 95.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' NZ ' HD13 ' A' ' 93' ' ' LEU . 13.8 mttp -69.84 -39.6 76.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.457 ' CD1' HG23 ' A' ' 26' ' ' THR . 19.5 mt -63.67 -61.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 94.4 mtt180 -44.67 -41.95 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.54 -133.13 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t0 45.63 42.06 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -147.19 94.08 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.68 170.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -112.82 173.06 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -134.2 -174.52 13.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 148.26 35.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.55 169.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.8 p -59.04 154.12 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -59.78 99.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 51.83 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.73 76.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -96.68 91.95 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -82.69 -1.67 51.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.04 129.53 5.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -63.35 148.42 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.93 -54.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 -64.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.06 -112.14 2.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.45 154.35 50.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.89 86.18 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t 62.67 121.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -134.12 149.15 51.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.506 ' CG2' ' NE2' ' A' ' 92' ' ' GLN . 2.8 p -133.3 139.83 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mt -91.71 170.63 9.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.41 124.21 47.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 95' ' ' VAL . 2.5 mm? -60.83 179.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -135.62 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -40.03 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.65 -59.6 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -39.62 -52.12 2.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -44.73 -55.53 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -50.99 -47.5 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.442 HG22 ' CD1' ' A' ' 98' ' ' LEU . 4.4 m -62.34 -44.54 96.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.82 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -38.1 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG22 ' CD2' ' A' ' 94' ' ' LEU . 41.2 t -65.19 -46.1 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -48.8 -38.11 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -63.39 -31.85 73.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.448 HG13 ' CB ' ' A' ' 66' ' ' GLU . 46.2 t -62.57 -46.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.5 m0 -60.91 -57.58 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.7 mm-40 -51.13 -55.86 15.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -53.42 -34.81 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 52.5 mt -75.35 -64.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 5.9 mt -75.86 113.82 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -41.47 -40.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 83.6 t -59.51 118.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.09 -25.07 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -143.02 148.85 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 2.6 t -122.33 81.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -177.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.13 -6.74 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -9.45 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.64 121.81 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' OD1' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -84.01 129.76 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.519 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 49.9 t80 -66.76 -18.83 65.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.8 m-85 -93.2 -65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PHE . 6.4 mptt -40.04 -44.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.472 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.7 m -42.94 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.05 40.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -88.81 144.5 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.44 -167.93 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -73.37 -20.58 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.23 -35.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.496 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.9 m-20 -56.88 -34.05 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG12 ' CE1' ' A' ' 82' ' ' TYR . 72.0 t -62.48 -55.85 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 12.8 t -68.1 -37.57 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 tp -65.04 -57.13 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.442 ' CG2' HD23 ' A' ' 76' ' ' LEU . 23.7 t -55.35 -40.28 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.3 mm-40 -63.5 -40.68 97.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' HG13 ' A' ' 33' ' ' VAL . 1.5 mt-10 -64.22 -56.08 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 94' ' ' LEU . 54.4 t -58.59 -22.75 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -63.78 -42.86 97.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.7 -24.49 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' A' ' 30' ' ' VAL . 13.7 mt -64.88 -50.22 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 t -94.39 -1.0 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.1 t0 61.05 68.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 97.88 40.09 3.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD21 ' CG1' ' A' ' 67' ' ' VAL . 36.8 tp -57.35 138.03 55.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 59.61 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.442 HD23 ' CG2' ' A' ' 64' ' ' VAL . 11.2 tp -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.44 154.88 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -45.23 -33.57 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -48.64 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -48.47 -44.97 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.64 -46.49 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' HG12 ' A' ' 60' ' ' VAL . 17.5 m-30 -60.95 -13.31 15.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.34 91.65 3.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 79.5 p -79.13 -37.2 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -81.81 132.75 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.462 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 29.3 t80 -43.83 -59.81 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.31 -55.8 2.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -61.08 -51.27 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' ILE . 83.0 t80 -51.56 -60.94 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' PHE . 14.9 mm -40.03 -54.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.506 ' NE2' ' CG2' ' A' ' 16' ' ' VAL . 52.0 mm-40 -48.32 -49.4 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.467 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.6 -47.9 81.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 67' ' ' VAL . 4.1 tp -55.78 -58.12 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 19' ' ' LEU . 69.2 t -45.39 -50.07 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -43.51 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 11.5 mttm -72.14 -50.97 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.463 ' CG ' HD12 ' A' ' 94' ' ' LEU . 12.4 mt -51.88 -44.38 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -59.62 -47.82 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.7 98.54 0.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -172.52 34.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.59 160.14 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.95 148.99 25.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.22 85.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.5 p -126.14 100.46 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 -171.82 44.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t 59.47 170.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.3 t -168.55 118.33 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -132.33 94.78 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.0 -58.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.79 155.61 17.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -164.83 -57.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m 43.96 76.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 93.92 0.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.108 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.82 162.49 13.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 54.89 168.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -52.95 149.61 6.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.85 141.01 33.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.35 74.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.79 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.1 173.15 7.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 m -166.32 135.48 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.56 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 0.4 OUTLIER -105.32 138.77 40.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 15' ' ' SER . 8.7 p 50.33 173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.9 mt -98.76 129.87 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -92.69 121.24 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 95' ' ' VAL . 2.9 mm? -70.94 176.21 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -131.19 -168.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.86 -37.27 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.74 -65.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' THR . 7.7 mt-10 -38.71 -53.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' GLU . 18.3 mt -40.15 -50.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.37 -45.6 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.522 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -64.26 -44.83 90.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.93 68.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.7 -34.04 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 70' ' ' LEU . 18.1 t -64.02 -45.95 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -48.32 -44.05 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -55.29 -36.28 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG13 ' CB ' ' A' ' 66' ' ' GLU . 38.1 t -61.86 -53.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.481 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.35 -54.57 34.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -55.13 -57.31 12.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -47.53 33.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.438 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 58.1 mt -66.98 -71.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 14.2 mt -58.02 109.65 1.96 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.97 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -39.43 -42.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 73.5 t -56.73 105.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.91 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -150.56 142.27 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 45' ' ' GLU . 2.2 t -105.63 160.58 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 7.4 pt-20 -152.41 -174.16 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -81.83 -19.03 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 -5.47 48.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -71.33 130.85 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.88 114.08 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CE1' HD22 ' A' ' 63' ' ' LEU . 32.2 t80 -40.85 -36.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.5 m-85 -81.03 -67.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -41.79 -33.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.7 m -60.59 -73.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.01 41.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -93.37 134.33 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.33 -169.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.2 p -73.41 -19.32 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 m -88.77 -37.01 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 52.7 t0 -55.17 -39.79 69.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 78.0 t -51.39 -53.04 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.19 -37.51 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -65.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.575 HD22 ' CE1' ' A' ' 50' ' ' PHE . 2.9 tp -47.12 -44.84 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 61.8 t -64.5 -45.81 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.18 -41.23 99.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' CB ' HG13 ' A' ' 33' ' ' VAL . 3.4 mt-10 -63.95 -55.83 19.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 94' ' ' LEU . 68.8 t -58.36 -20.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -65.88 -45.74 80.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.26 -22.13 65.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 30' ' ' VAL . 13.1 mt -66.38 -49.28 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.6 t -98.49 3.03 48.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 7.4 t70 62.33 75.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 83.77 42.21 7.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 67' ' ' VAL . 60.6 tp -53.46 142.06 23.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -78.73 60.02 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 11.5 tp -103.5 163.43 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.77 162.77 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.75 -36.88 67.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.63 -41.78 97.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.05 -38.54 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 64' ' ' VAL . 71.3 t -71.89 -51.83 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -55.94 -17.11 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -44.3 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB2' ' N ' ' A' ' 90' ' ' PHE . . . -117.58 90.96 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 77.1 p -79.31 -32.56 43.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.4 p -84.16 141.35 31.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 91' ' ' ILE . 63.3 t80 -50.25 -60.45 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -60.42 2.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.83 -55.2 32.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' N ' ' HB2' ' A' ' 84' ' ' ALA . 79.6 t80 -50.34 -55.41 15.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 87' ' ' PHE . 27.8 mm -44.92 -51.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -49.08 -49.39 41.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.486 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.0 tp -57.37 -59.87 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 19' ' ' LEU . 78.5 t -45.67 -48.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.05 -47.02 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.36 -43.93 76.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.522 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 13.5 mt -58.11 -46.44 85.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.427 ' NE ' ' OE2' ' A' ' 23' ' ' GLU . 57.5 mtt180 -59.95 -47.63 85.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 171.82 -125.19 1.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.12 41.85 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -157.5 68.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.58 -14.6 19.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.04 -66.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 t -55.12 -58.04 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.04 31.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.72 87.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.5 m 65.32 139.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -100.09 168.7 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t 64.06 128.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.029 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.55 -126.37 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -152.46 157.64 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -95.4 91.22 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.08 -93.82 0.59 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -172.99 134.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -97.35 168.16 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 138.16 58.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.95 76.51 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.2 171.4 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 0.72 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.49 159.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t 53.72 86.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -143.6 147.72 34.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.023 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 15' ' ' SER . 29.8 t 59.89 149.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 16' ' ' VAL . 65.1 mt -98.31 138.22 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 11.5 pt-20 -88.57 120.3 29.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.1 mm? -56.01 175.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.5 p -134.84 -158.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.39 -39.56 62.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 -59.37 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -42.87 -53.5 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' GLU . 12.6 mt -39.95 -52.86 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.33 -48.11 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -60.28 -45.91 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.22 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -37.16 69.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.57 89.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 HG22 ' CD2' ' A' ' 94' ' ' LEU . 22.5 t -60.42 -44.04 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.78 -41.28 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -59.0 -35.01 72.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 66' ' ' GLU . 44.8 t -59.72 -50.81 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 m0 -57.99 -58.9 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -49.55 -51.52 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 34.2 mt -62.97 -72.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 20.8 mt -57.84 110.05 2.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -72.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 43.6 mttm -40.26 -41.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 68.9 t -59.39 115.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -29.3 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.3 tt0 -137.4 139.25 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 t -114.07 112.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -112.28 -172.88 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.55 -18.66 58.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.19 -7.27 45.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -73.94 123.61 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.23 123.35 39.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 35.2 t80 -54.02 -30.79 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.3 m-30 -82.88 -63.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -44.17 -39.52 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.466 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 3.8 m -50.83 -39.98 54.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 124.99 40.91 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -95.38 130.58 42.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.6 164.76 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 p -53.02 -16.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -59.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 2.3 m-20 -47.09 -34.28 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 55.9 t -49.33 -46.27 18.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.4 t -72.87 -37.81 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 2.6 ttt85 -59.38 -56.99 15.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -53.73 -55.18 28.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 55.4 t -55.17 -40.08 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.58 -39.44 80.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.2 mt-10 -64.45 -56.81 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 49.3 t -57.4 -21.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.12 -41.43 94.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.59 -22.38 61.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.45 -50.14 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.9 t -95.85 -1.52 49.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.5 t70 61.85 69.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.36 39.52 4.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 56.2 tp -57.1 130.55 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.56 59.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 tp -103.3 158.7 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -147.37 152.61 38.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -46.85 -30.31 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -37.1 85.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -55.98 -47.6 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.457 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 48.2 t -62.45 -46.45 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 8.8 m-30 -60.93 -20.44 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -46.63 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -119.55 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 32.4 p -75.81 -34.21 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 p -85.4 144.98 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 91' ' ' ILE . 50.6 t80 -53.4 -62.87 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.69 -52.85 2.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -64.34 -47.95 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 70.3 t80 -54.58 -55.26 31.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.426 HG13 ' CE2' ' A' ' 87' ' ' PHE . 29.4 mm -44.1 -58.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -45.81 -45.18 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -66.6 -46.33 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.471 HD12 ' CG1' ' A' ' 67' ' ' VAL . 3.7 tp -59.09 -59.12 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 19' ' ' LEU . 74.4 t -44.83 -38.91 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -62.26 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 10.0 mttp -64.42 -38.14 89.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 74' ' ' LEU . 14.8 mt -62.29 -54.79 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 89.2 mtt180 -57.16 -45.99 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 151.42 129.3 1.54 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -166.38 164.88 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 67.23 118.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.88 164.58 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.68 161.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 p -79.97 155.04 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.68 -145.08 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 m 49.78 87.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t 179.76 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -160.29 -58.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.08 170.21 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.162 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -138.37 113.27 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 p 179.96 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.91 101.78 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 27.2 p90 -108.29 127.92 54.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -119.94 -56.05 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 159.81 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.47 -100.6 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.08 169.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.35 161.99 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.45 132.07 2.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 93.7 p -136.43 166.09 24.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 15' ' ' SER . 8.4 p 50.21 173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 36.9 mt -102.07 137.49 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.2 mt-10 -90.41 117.97 29.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CB ' HD23 ' A' ' 24' ' ' LEU . 4.5 mm? -57.28 -178.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 22' ' ' ALA . 59.9 p -148.72 163.55 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -48.02 -22.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 20' ' ' THR . . . -88.68 -64.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' CB ' HD12 ' A' ' 19' ' ' LEU . 4.0 mm-40 -53.31 -46.18 69.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 19' ' ' LEU . 13.8 mt -42.56 -41.7 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.3 -45.29 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' GLU . 12.5 m -62.71 -48.46 79.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.43 -34.29 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.23 -39.35 48.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.69 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' CD1' ' A' ' 70' ' ' LEU . 49.2 t -66.39 -40.12 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -54.69 -36.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -65.86 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 HG12 ' CB ' ' A' ' 66' ' ' GLU . 46.8 t -63.51 -46.22 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 12.5 m0 -62.12 -56.29 20.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.028 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -53.06 -59.34 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -49.12 -43.5 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.413 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 19.4 mt -69.84 -71.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 14.1 mt -61.45 110.89 3.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -71.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 8.6 mttm -39.36 -43.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 67.3 t -54.73 113.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -30.36 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -146.61 151.41 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.67 127.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -172.53 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -78.04 -20.8 51.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -13.03 38.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -65.59 128.33 35.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 t70 -105.15 120.54 41.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE1' HD23 ' A' ' 63' ' ' LEU . 33.9 t80 -45.67 -30.23 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 26.1 m-85 -85.99 -62.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 1.3 mmtt -40.57 -33.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 m -60.99 -49.01 79.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 130.29 41.71 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.11 130.69 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 58' ' ' VAL . . . -89.04 164.72 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.2 m -52.9 -16.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -73.9 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -48.97 -33.15 10.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 75.9 t -49.9 -44.03 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.0 t -75.02 -36.22 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -58.79 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 50' ' ' PHE . 3.8 tp -51.48 -49.82 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 54.6 t -59.91 -42.9 90.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.01 -41.03 91.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' CB ' HG12 ' A' ' 33' ' ' VAL . 1.2 mm-40 -62.23 -56.79 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 74' ' ' LEU . 87.4 t -57.43 -22.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -64.91 -44.15 90.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.08 -20.97 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' CD1' ' CG2' ' A' ' 30' ' ' VAL . 13.4 mt -68.74 -47.89 65.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.3 t -98.86 1.95 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . 14.1 t0 61.25 73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 87.58 41.68 6.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 67' ' ' VAL . 58.9 tp -54.58 143.35 24.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.7 60.93 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 80' ' ' ASP . 12.3 tp -108.15 160.97 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.51 152.31 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -48.1 -32.05 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.53 -42.82 99.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' CB ' HD12 ' A' ' 76' ' ' LEU . 64.4 m-20 -53.18 -45.56 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 85.8 t -61.98 -42.75 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -66.19 -18.08 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.79 -44.42 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 90' ' ' PHE . . . -116.69 86.37 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.501 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 60.8 p -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 p -82.25 143.99 30.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -53.94 -58.54 6.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.82 -55.81 2.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -49.49 74.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.416 ' N ' ' HB2' ' A' ' 84' ' ' ALA . 77.7 t80 -52.7 -58.83 5.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 mm -42.83 -52.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -48.98 -48.77 42.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.408 HD12 ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.0 -48.77 77.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.459 HD13 ' CG1' ' A' ' 67' ' ' VAL . 4.4 tp -54.76 -59.46 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG1' ' NE ' ' A' ' 99' ' ' ARG . 52.5 t -45.57 -50.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 3.8 mtt-85 -51.87 -50.61 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' CE ' HD12 ' A' ' 93' ' ' LEU . 49.5 mttm -62.68 -44.01 97.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 74' ' ' LEU . 8.2 mt -54.55 -58.42 7.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.467 ' NE ' ' CG1' ' A' ' 95' ' ' VAL . 26.5 mtt180 -50.66 -48.84 58.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.56 74.8 0.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 t0 59.24 167.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -133.57 102.2 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.96 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -122.66 73.48 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.66 98.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.38 -151.58 14.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.08 19.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.7 m -148.78 160.54 43.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.0 t -170.65 116.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -164.19 151.73 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.055 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.77 160.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.94 -179.79 36.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t 55.49 88.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 -54.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.57 -119.68 0.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 8' ' ' PHE . 5.0 p90 -135.37 128.69 32.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.88 161.77 30.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.6 mttt 67.43 122.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.84 160.9 18.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.82 89.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 0.718 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.89 110.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 146.98 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.19 139.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.428 HG13 ' NE2' ' A' ' 92' ' ' GLN . 50.8 t -126.35 136.56 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD21 ' NH1' ' A' ' 99' ' ' ARG . 26.5 mt -63.95 137.39 57.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 4.0 tt0 -88.4 121.99 31.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.5 mm? -66.48 -176.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.2 p -145.98 165.07 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.26 -37.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.63 -62.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 4.6 mt-10 -42.7 -48.07 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.33 -51.54 19.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.36 -50.98 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.46 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 5.4 m -58.17 -45.46 87.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.67 75.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.75 -32.99 70.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.92 73.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 t -73.89 -40.95 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.486 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.8 ttm180 -53.05 -39.99 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.04 -44.35 97.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.51 ' HA ' ' CG ' ' A' ' 36' ' ' ARG . 30.5 t -55.85 -33.16 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 87' ' ' PHE . 10.9 m0 -74.87 -43.17 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.51 -57.83 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' CG ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.69 -25.43 27.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.405 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 32.8 mt -87.45 -38.59 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' TRP . 11.7 mt -104.38 104.68 46.01 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.445 ' C ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -65.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -39.6 -30.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' C ' ' A' ' 39' ' ' PRO . 72.9 t -73.31 107.94 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -35.73 62.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.61 146.81 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.84 150.3 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 -177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.19 2.06 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -106.81 -18.67 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.22 134.68 49.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.452 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -101.07 120.83 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -37.95 -46.54 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 32.4 m-85 -71.82 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 mmpt? -40.17 -43.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 m -55.18 -63.47 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.86 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.54 121.97 34.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.21 -166.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 p -81.28 -10.65 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.27 -37.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -39.6 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 85.4 t -49.33 -52.45 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.75 -38.08 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.28 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 34' ' ' TRP . 6.6 tp -52.38 -46.42 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 92.8 t -61.89 -35.69 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.63 -46.69 36.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' CB ' HG13 ' A' ' 33' ' ' VAL . 2.2 mt-10 -54.44 -58.48 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.535 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 92.9 t -53.16 -35.61 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.14 -35.08 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.81 -32.17 52.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 19.6 mt -56.14 -45.1 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.507 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 3.5 t -100.32 -13.37 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.3 t70 61.59 61.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.18 33.38 1.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 55.9 tp -62.28 150.78 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -96.16 69.37 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 80' ' ' ASP . 16.1 tp -111.28 160.34 17.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.9 pt-20 -144.62 146.82 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -47.18 -33.59 5.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 3.8 pt-20 -62.01 -38.97 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' CB ' HD12 ' A' ' 76' ' ' LEU . 69.8 m-20 -56.15 -44.25 79.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.38 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 79' ' ' GLU . 21.9 m-30 -64.96 -14.9 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -45.07 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -114.63 83.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.425 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 60.9 p -73.32 -31.76 64.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.414 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 3.2 p -85.08 130.4 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 86.5 t80 -46.39 -54.97 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.37 -61.18 2.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -57.51 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 78.3 t80 -41.48 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.2 mm -42.49 -57.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.428 ' NE2' HG13 ' A' ' 16' ' ' VAL . 5.9 mm100 -47.17 -48.59 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.61 -57.37 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.5 t -45.18 -41.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -59.96 -50.56 73.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -62.84 -46.39 88.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.507 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 17.5 mt -57.39 -55.68 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 88.0 mtt180 -48.8 -50.27 35.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.09 118.12 2.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -174.32 166.23 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.4 t70 61.84 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 165.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 137.26 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.9 m -130.92 136.77 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.72 120.39 22.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.34 6.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -109.9 116.32 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 110.009 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.9 167.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -83.67 166.74 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 120.97 32.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.03 157.75 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -135.11 146.63 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 96.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.61 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -93.32 157.82 16.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -91.24 -53.01 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -166.87 157.97 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.26 153.38 6.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.99 152.84 49.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.84 110.36 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.25 158.0 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -54.72 142.2 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG11 ' CG ' ' A' ' 92' ' ' GLN . 87.1 t -129.42 143.93 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 41.7 mt -96.75 135.2 39.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.54 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' C ' ' CG2' ' A' ' 20' ' ' THR . 2.8 mm? -55.77 169.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 24' ' ' LEU . 1.3 p -153.24 164.38 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.7 OUTLIER -34.31 -46.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.45 -68.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' THR . 3.4 mt-10 -43.96 -51.52 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 20' ' ' THR . 6.6 mp -40.01 -55.32 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -46.35 -43.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.55 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.8 m -76.5 -42.24 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.06 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.7 mm-40 -85.64 -38.18 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.71 -38.93 92.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 70' ' ' LEU . 52.9 t -67.56 -43.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -53.75 -38.99 64.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 t -64.61 -31.95 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 66' ' ' GLU . 47.2 t -62.61 -46.7 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -62.99 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.02 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -52.68 -57.28 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -50.03 -44.83 51.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.45 -72.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 7.4 mt -64.91 112.25 7.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.41 -42.65 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.59 114.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.12 -32.98 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.2 tt0 -136.14 140.43 43.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.5 t -114.12 106.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -99.8 -172.12 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -12.46 59.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -101.25 -2.97 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.81 116.09 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.44 124.02 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 63' ' ' LEU . 32.9 t80 -52.67 -22.77 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 29.2 m-85 -91.81 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PHE . 15.2 mtmt -39.35 -34.11 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.2 m -58.48 -70.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 42.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -94.75 130.53 41.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.05 -163.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.4 -15.66 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -85.74 -36.62 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -34.5 67.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 88.4 t -54.03 -50.96 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.404 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 24.8 t -70.13 -35.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -57.63 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 50' ' ' PHE . 3.7 tp -53.63 -50.01 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 81' ' ' VAL . 43.2 t -61.58 -47.07 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.8 mm-40 -60.79 -40.8 93.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' CB ' HG12 ' A' ' 33' ' ' VAL . 2.3 mt-10 -61.06 -57.28 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.491 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 67.3 t -59.14 -22.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -63.29 -42.15 99.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.51 -25.59 63.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD1' HG22 ' A' ' 30' ' ' VAL . 34.9 mt -61.95 -51.27 68.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 3.8 t -95.13 -3.16 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.9 t0 62.27 67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.43 39.59 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.491 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 57.7 tp -57.68 138.8 55.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.81 63.18 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 tp -109.69 149.6 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -137.23 153.96 50.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 44.4 m-80 -47.32 -31.28 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -48.45 -51.27 27.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 57.5 t -55.99 -43.99 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 17.8 m-30 -67.83 -24.46 65.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mmt -84.37 -42.83 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.94 84.11 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 80.9 p -72.51 -35.28 68.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 p -82.96 144.13 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -57.02 -55.34 35.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.37 -58.22 3.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -59.81 -51.54 69.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -50.15 -59.33 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.1 mm -40.26 -56.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 17' ' ' LEU . 1.2 mp0 -47.07 -49.87 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.417 HD12 ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.1 -46.7 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.486 HD13 ' CG1' ' A' ' 67' ' ' VAL . 2.8 tp -58.18 -59.67 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 19' ' ' LEU . 71.2 t -44.44 -41.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -61.78 -52.71 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' CE ' HD12 ' A' ' 93' ' ' LEU . 47.8 mttm -60.62 -44.92 95.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.55 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 15.9 mt -59.35 -54.64 44.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -54.01 -47.85 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.92 103.87 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.09 164.59 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.1 144.61 49.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.98 147.13 39.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -135.38 158.27 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -46.8 136.25 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.054 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.58 -158.98 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 134.77 18.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t -176.54 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.9 123.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 p -178.87 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -124.13 87.35 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.09 101.27 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.28 81.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -74.51 167.35 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.95 114.67 1.66 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 54.82 171.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -94.25 103.53 15.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -136.14 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.61 -98.48 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.74 111.56 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.67 175.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 p -102.69 72.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m 63.9 109.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.51 138.53 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.9 mt -89.03 127.45 35.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 10.0 pt-20 -92.36 116.06 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD13 ' CG2' ' A' ' 95' ' ' VAL . 3.0 mm? -52.48 166.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.513 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.1 p -151.3 161.92 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -33.95 -42.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -70.48 -67.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.5 mm-40 -48.21 -49.77 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 20' ' ' THR . 6.9 mp -40.27 -53.38 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 22' ' ' ALA . 54.7 t -48.64 -43.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 23' ' ' GLU . 1.4 m -75.9 -41.27 52.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.11 -21.17 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mm-40 -88.03 -36.9 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.79 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 70' ' ' LEU . 15.0 t -67.14 -40.84 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -55.11 -43.12 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -59.04 -35.68 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 ' CB ' ' A' ' 66' ' ' GLU . 45.7 t -59.9 -50.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.506 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.8 m0 -56.32 -60.01 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -52.3 -57.71 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -40.3 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.408 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 68.4 mt -76.64 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 19.6 mt -61.13 111.13 3.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -41.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.9 t -59.28 115.61 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -27.14 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -140.82 139.19 34.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -112.62 114.0 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 11.4 pm0 -103.04 -177.17 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.2 -19.1 54.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.8 t -97.81 -0.83 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.406 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -75.89 121.41 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -88.98 125.81 35.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 39.5 t80 -54.81 -35.73 64.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.9 m-85 -76.7 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -41.85 -46.88 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.404 ' CB ' HD13 ' A' ' 38' ' ' LEU . 20.9 m -44.34 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.1 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.99 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.46 -163.95 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 p -81.2 -13.58 58.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -88.69 -42.27 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.1 m-20 -51.17 -44.18 61.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.511 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 55.5 t -46.06 -51.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 t -66.75 -39.18 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -64.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.497 HD21 ' CZ ' ' A' ' 50' ' ' PHE . 3.3 tp -47.02 -46.96 22.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 58.2 t -63.12 -49.06 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 2.1 mm-40 -58.64 -45.77 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' HG11 ' A' ' 33' ' ' VAL . 3.5 mt-10 -59.88 -55.58 32.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 94' ' ' LEU . 40.0 t -57.24 -23.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -65.97 -44.3 85.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.79 -16.75 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 30' ' ' VAL . 16.2 mt -73.33 -46.55 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -100.96 6.3 43.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 55.9 t0 61.64 79.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 73.76 44.49 31.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD2' HG11 ' A' ' 67' ' ' VAL . 40.0 tp -51.55 160.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 7.1 pt-20 -93.27 61.5 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 80' ' ' ASP . 15.1 tp -108.71 160.5 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.79 155.21 38.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 66.9 m-80 -50.97 -31.31 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.474 ' CB ' HD13 ' A' ' 76' ' ' LEU . 63.0 m-20 -54.01 -47.8 71.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.84 -43.94 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.4 ' CG ' ' O ' ' A' ' 78' ' ' ASN . 14.1 m-30 -62.75 -13.32 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -45.52 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.81 84.79 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.551 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 58.0 p -74.8 -31.32 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.3 p -84.43 144.82 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -55.6 -58.35 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.52 -54.11 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -61.47 -50.27 73.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -54.06 -55.83 23.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.3 mm -42.86 -55.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -48.22 -50.92 27.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.439 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.64 -47.86 81.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 67' ' ' VAL . 2.6 tp -56.88 -62.72 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 19' ' ' LEU . 70.6 t -39.78 -50.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -51.58 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 12.2 mttp -60.83 -26.01 67.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD1' HG22 ' A' ' 26' ' ' THR . 8.7 mt -76.01 -50.35 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -49.4 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.61 -108.21 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 102' ' ' ASP . 48.8 t0 -167.63 124.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 101' ' ' ASP . 1.0 OUTLIER 43.54 91.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.23 141.15 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -128.21 -44.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m 72.32 102.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.42 21.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.5 m -101.74 -53.91 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 m 40.84 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -131.32 95.52 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -123.42 154.72 38.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -143.2 15.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -154.93 114.69 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.944 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.17 101.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 108.33 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 48.64 93.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -148.58 116.72 6.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -152.37 -63.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.01 -151.88 8.43 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.26 74.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.78 68.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.06 85.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -176.47 147.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.59 141.22 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 12.3 mt -103.22 127.45 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.82 130.32 36.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 23' ' ' GLU . 2.5 mm? -60.77 178.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' ALA . 49.1 p -146.77 159.03 44.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.85 -29.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.45 -62.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 10.5 mm-40 -47.9 -47.03 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 mt -46.85 -40.69 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 66.9 t -70.98 -32.76 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 98' ' ' LEU . 1.1 m -74.24 -44.28 53.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.36 82.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.8 pt-20 -56.07 -35.24 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . -61.02 -38.99 88.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 94' ' ' LEU . 40.6 t -67.08 -43.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 9.5 ttm180 -49.22 -41.98 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -58.99 -35.36 73.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG11 ' CB ' ' A' ' 66' ' ' GLU . 42.1 t -61.3 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.409 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 10.6 m0 -62.6 -53.49 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.64 6.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -50.57 -48.18 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 38' ' ' LEU . 11.6 mt -63.3 -74.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 53' ' ' SER . 18.9 mt -59.81 110.2 2.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -71.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -40.14 -40.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 92.8 t -62.76 120.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -95.62 -33.21 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.24 141.03 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.65 115.38 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.12 -171.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -75.51 -20.31 58.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.33 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.93 115.66 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.02 114.21 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD23 ' A' ' 63' ' ' LEU . 32.3 t80 -41.74 -28.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 21.4 m-85 -88.14 -67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -41.66 -29.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PHE . 4.8 p -62.61 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.65 40.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -92.01 130.14 37.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.01 -164.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -82.46 -8.75 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -92.12 -42.96 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -52.49 -37.73 57.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -50.23 -46.52 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.06 -35.07 47.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD23 ' CE1' ' A' ' 50' ' ' PHE . 3.0 tp -47.18 -46.69 23.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG2' ' CG2' ' A' ' 81' ' ' VAL . 66.6 t -66.51 -55.82 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.56 -39.43 49.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.0 mm-40 -64.46 -55.69 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG1' HD21 ' A' ' 74' ' ' LEU . 48.6 t -58.1 -20.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -66.0 -41.79 90.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.06 -17.83 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' A' ' 30' ' ' VAL . 13.0 mt -70.18 -48.96 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.2 t -103.85 5.76 36.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 53.9 t0 60.97 89.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.59 38.82 68.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD21 ' CG1' ' A' ' 67' ' ' VAL . 58.8 tp -50.21 135.03 21.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -69.68 62.22 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.416 HD23 ' CG1' ' A' ' 64' ' ' VAL . 9.3 tp -113.08 151.48 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -138.85 157.28 46.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -49.53 -33.21 14.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.9 90.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -50.29 -42.29 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 87.9 t -65.22 -45.75 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -62.77 -19.66 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.8 tpp -89.43 -44.3 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.79 91.5 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.523 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 97.9 p -78.29 -31.52 48.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -87.87 143.14 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' ' 91' ' ' ILE . 65.7 t80 -55.24 -51.03 67.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.49 -57.37 7.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -61.18 -46.43 90.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -55.2 -56.72 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 87' ' ' PHE . 23.4 mm -40.8 -54.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -50.14 -52.78 32.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -60.63 -47.9 84.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 30' ' ' VAL . 3.4 tp -56.21 -62.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.2 t -42.22 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 28.8 mtt-85 -51.46 -47.6 63.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 12.0 mttp -65.2 -24.76 67.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 26' ' ' THR . 31.5 mt -78.92 -52.05 8.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -53.45 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -53.83 -77.0 0.16 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.08 113.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -101.12 136.79 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -119.09 71.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -125.93 174.18 8.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.71 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.67 -138.81 5.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 63.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.83 167.26 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 141.07 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.57 142.98 50.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 p -60.83 143.74 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.23 -157.59 8.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.06 135.71 51.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -53.51 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.63 150.11 5.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -101.19 70.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.65 131.4 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.15 149.63 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.02 130.17 9.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.47 133.32 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.69 105.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m 40.2 88.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.0 p -179.14 156.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.84 137.63 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 ' NH1' ' A' ' 99' ' ' ARG . 28.7 mt -76.19 173.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.66 124.91 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 HD12 ' CG2' ' A' ' 95' ' ' VAL . 2.4 mm? -60.66 167.13 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.511 ' N ' HD13 ' A' ' 24' ' ' LEU . 8.5 p -151.19 163.0 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -34.82 -40.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.74 -67.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.5 mm-40 -48.85 -49.09 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 20' ' ' THR . 7.3 mp -40.01 -53.27 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.73 -43.92 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.2 m -75.01 -42.53 57.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.39 -23.79 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.96 -38.33 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG23 ' CD1' ' A' ' 70' ' ' LEU . 18.9 t -65.24 -41.47 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 7.8 ttp85 -55.96 -42.28 76.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -59.12 -34.47 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG11 ' CB ' ' A' ' 66' ' ' GLU . 44.2 t -60.46 -53.7 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -52.15 -60.51 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -52.06 -51.08 59.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.59 -42.64 71.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.0 mt -72.1 -68.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 53' ' ' SER . 6.8 mt -67.16 112.34 9.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 -69.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' PRO . 2.0 mttt -38.82 -43.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.2 t -53.54 112.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.5 -33.09 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -144.3 153.38 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 2.2 t -115.11 127.42 72.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -130.6 -178.02 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.42 -23.41 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -29.08 32.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 m -54.21 119.89 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -102.71 111.81 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CE1' HD23 ' A' ' 63' ' ' LEU . 17.9 t80 -33.44 -39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 25.9 m-85 -76.85 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -38.83 -40.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.471 ' CB ' HD11 ' A' ' 38' ' ' LEU . 5.5 m -55.61 -71.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.48 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.25 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.13 -165.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -80.83 -12.87 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -88.66 -39.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -36.47 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 53.3 t -51.8 -49.72 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.69 -35.32 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -55.83 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD23 ' CE1' ' A' ' 50' ' ' PHE . 3.7 tp -55.58 -49.91 71.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 44.6 t -61.82 -43.82 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -63.98 -40.69 96.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.9 mt-10 -62.78 -56.45 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 94' ' ' LEU . 81.2 t -59.71 -18.16 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -67.42 -46.61 72.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.41 -18.88 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 14.6 mt -67.93 -48.06 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -105.85 9.74 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 45.3 t0 61.35 86.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.06 43.08 91.61 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD2' HG11 ' A' ' 67' ' ' VAL . 50.7 tp -49.12 142.87 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -74.15 61.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 80' ' ' ASP . 12.2 tp -110.19 150.61 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.7 pt-20 -138.22 150.92 47.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -44.07 -31.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' CB ' HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -48.82 -46.81 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 57.5 t -63.38 -50.3 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.83 -26.86 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 15.2 tpt -83.02 -43.04 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.85 96.29 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.49 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 96.6 p -83.42 -29.11 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.412 ' CG2' ' OD1' ' A' ' 49' ' ' ASP . 27.3 p -87.7 140.18 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 31' ' ' ARG . 40.1 t80 -50.76 -52.12 43.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.39 -58.13 6.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.38 -46.39 88.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.13 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.9 mm -40.73 -51.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -49.77 -48.18 50.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.08 -47.42 80.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.7 tp -57.08 -56.02 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 19' ' ' LEU . 71.6 t -47.64 -43.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.57 -51.82 68.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.407 ' CE ' HD12 ' A' ' 93' ' ' LEU . 53.2 mttm -62.19 -46.43 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 26' ' ' THR . 40.8 mt -53.12 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' NH1' HD22 ' A' ' 17' ' ' LEU . 81.0 mtt180 -53.84 -46.41 71.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.09 -85.75 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -42.32 122.4 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 174.21 143.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.2 166.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.55 -59.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.0 t 62.27 82.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.9 -151.54 29.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.75 160.45 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.42 141.07 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.044 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.941 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -58.3 -58.52 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -79.03 105.11 10.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.45 69.7 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -153.95 159.24 41.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -168.17 121.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.96 -177.72 37.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -49.66 145.03 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 60.3 t80 -58.33 93.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.13 136.53 41.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.76 124.45 1.15 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . 58.34 172.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . 79.36 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -116.51 96.1 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.1 p 175.01 103.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -130.02 142.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 14.2 mt -87.41 123.9 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -90.59 119.44 30.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' C ' ' CG2' ' A' ' 20' ' ' THR . 2.9 mm? -56.99 170.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.507 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.48 163.92 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -33.88 -46.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.46 -68.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.9 mt-10 -43.32 -51.27 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 20' ' ' THR . 6.5 mp -39.15 -56.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.76 -44.86 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.535 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -75.13 -39.97 60.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.89 -21.75 66.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.2 mm-40 -87.42 -35.63 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.94 -29.73 70.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 70' ' ' LEU . 7.9 t -75.6 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.63 -38.16 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -63.81 -29.79 70.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 ' CB ' ' A' ' 66' ' ' GLU . 45.4 t -65.72 -51.9 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.37 -60.51 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -48.18 -58.57 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.97 -41.2 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.3 mt -71.85 -71.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 53' ' ' SER . 10.7 mt -64.39 111.95 6.68 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -40.06 -42.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 70.1 t -57.85 112.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.84 -30.27 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 148.35 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.52 126.09 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.59 -174.43 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -75.75 -19.0 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -88.89 -15.05 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -66.71 116.7 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.31 113.42 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CE1' HD21 ' A' ' 63' ' ' LEU . 31.7 t80 -38.59 -33.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.9 m-85 -84.67 -67.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PHE . 23.7 mtmt -39.63 -31.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 38' ' ' LEU . 4.3 m -61.05 -72.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.38 41.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.89 134.5 40.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.17 -160.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.7 m -85.76 -9.36 57.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -93.05 -31.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.9 92.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 78' ' ' ASN . 43.8 t -47.0 -52.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' GLU . 17.6 t -67.98 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -58.84 -56.79 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD21 ' CE1' ' A' ' 50' ' ' PHE . 3.4 tp -54.03 -51.15 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 36.5 t -59.91 -43.26 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' VAL . 2.5 mm-40 -62.8 -42.62 99.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' CB ' HG11 ' A' ' 33' ' ' VAL . 1.7 mt-10 -62.05 -54.04 47.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 58.6 t -60.42 -22.47 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -64.63 -39.95 94.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.84 -19.4 60.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' A' ' 30' ' ' VAL . 14.4 mt -69.96 -49.09 55.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -99.42 -0.23 41.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.335 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.2 t70 62.37 80.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 82.98 38.83 10.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.509 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 59.9 tp -55.52 129.51 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.48 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.32 143.75 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.69 168.88 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.453 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 5.6 m-20 -62.83 -36.22 82.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -59.52 -48.63 80.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' GLU . 46.6 m-20 -38.96 -33.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.7 t -73.01 -53.63 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 36.3 m-85 -56.07 -17.05 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -47.2 7.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 90' ' ' PHE . . . -111.76 65.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.0 p -53.95 -40.84 67.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 p -79.17 136.3 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.571 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 58.7 t80 -53.88 -46.87 71.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -50.0 -57.05 10.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -61.08 -45.36 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.434 ' HA ' ' CB ' ' A' ' 84' ' ' ALA . 72.9 t80 -53.75 -54.15 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 87' ' ' PHE . 23.7 mm -43.15 -59.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.437 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.2 mp0 -45.0 -49.58 11.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.402 HD12 ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -61.83 -46.21 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.1 tp -59.75 -60.34 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.49 ' CG2' HD13 ' A' ' 19' ' ' LEU . 81.8 t -44.47 -37.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -63.95 -49.47 72.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' NZ ' HD12 ' A' ' 93' ' ' LEU . 10.5 mttp -64.75 -29.91 70.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.535 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 14.6 mt -72.41 -53.56 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -57.86 -43.27 85.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.72 98.05 0.22 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -79.47 54.85 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -110.08 95.63 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.88 157.27 46.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -82.01 119.08 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.8 m -65.8 105.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.63 89.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.25 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.4 p -179.29 140.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.12 96.43 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.93 126.78 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.8 115.35 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.76 175.68 19.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 46.51 84.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.936 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -114.03 107.14 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.73 -149.62 5.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.85 92.34 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 43.57 90.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.32 154.82 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.27 -130.62 2.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.53 82.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 174.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 p -138.45 124.12 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 p -177.66 158.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.948 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.03 142.63 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.8 mt -75.35 139.7 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 1.9 tt0 -98.03 126.74 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' A' ' 95' ' ' VAL . 2.8 mm? -64.74 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -145.99 165.1 29.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -34.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -61.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HB3' HD13 ' A' ' 19' ' ' LEU . 6.2 mt-10 -45.09 -49.49 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 mt -42.28 -50.27 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.79 -50.39 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.9 m -58.21 -45.18 88.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -33.51 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -37.54 64.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.96 78.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 94' ' ' LEU . 24.4 t -72.13 -45.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' CG ' HG11 ' A' ' 44' ' ' VAL . 8.8 ttm180 -51.99 -40.62 61.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.31 -35.12 74.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.447 HG11 ' CB ' ' A' ' 66' ' ' GLU . 45.3 t -62.48 -44.52 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.2 m0 -59.2 -61.33 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -48.8 -50.08 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -56.57 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.431 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 10.8 mt -73.02 -71.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 10.9 mt -64.64 111.51 5.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -71.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.3 mmmt -39.44 -43.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 72.8 t -55.56 109.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -35.86 39.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -137.49 149.86 47.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.43 HG11 ' CG ' ' A' ' 31' ' ' ARG . 2.4 t -121.8 122.04 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -119.51 -175.86 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -74.62 -37.69 62.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.35 128.67 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' OD1' ' OG ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -100.23 118.29 36.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CE1' HD22 ' A' ' 63' ' ' LEU . 50.1 t80 -48.15 -22.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.2 m-85 -91.04 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -37.65 -42.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.461 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.6 m -47.27 -52.34 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 134.22 42.27 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -98.34 136.38 38.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.32 167.52 11.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -54.82 -15.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -58.68 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -47.4 -32.69 5.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.7 t -50.38 -45.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.87 -36.67 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -56.72 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 HD22 ' CE1' ' A' ' 50' ' ' PHE . 4.1 tp -51.97 -55.81 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 76' ' ' LEU . 45.2 t -56.02 -46.87 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.29 -39.89 88.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' CB ' HG11 ' A' ' 33' ' ' VAL . 2.7 mt-10 -64.56 -55.86 17.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 94' ' ' LEU . 60.4 t -58.58 -20.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.38 -44.06 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -22.89 63.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.22 -49.97 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.94 -0.79 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.4 t0 62.46 70.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 92.36 41.23 4.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 67' ' ' VAL . 65.2 tp -56.24 131.43 47.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.95 59.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 12.5 tp -103.24 158.7 16.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.6 pt-20 -144.77 149.08 34.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -44.81 -30.87 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.38 -43.63 98.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -48.23 -47.33 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.455 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 57.7 t -61.5 -51.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -55.49 -27.87 51.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.99 -40.82 16.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.72 93.44 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.7 p -77.98 -55.85 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.9 p -65.84 146.44 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 91' ' ' ILE . 69.5 t80 -56.0 -53.14 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.34 -57.08 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.1 -56.1 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' ILE . 59.0 t80 -45.09 -59.67 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 87' ' ' PHE . 30.0 mm -39.93 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.0 mp0 -46.63 -44.07 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -45.99 72.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.478 HD13 ' CG1' ' A' ' 67' ' ' VAL . 4.4 tp -59.84 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.404 HG23 ' CD1' ' A' ' 19' ' ' LEU . 77.6 t -46.36 -41.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -59.64 -46.96 87.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -67.78 -36.26 80.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' CG ' HD11 ' A' ' 94' ' ' LEU . 15.7 mt -67.63 -50.39 58.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 87.9 mtt180 -56.1 -46.91 78.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -109.3 -140.78 9.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.65 41.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -113.68 114.47 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.25 121.5 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.98 166.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.03 79.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.55 70.98 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.8 p -84.41 137.87 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 110.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 64.73 143.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -144.44 -58.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.45 -140.81 15.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.9 99.6 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -122.55 127.46 49.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.44 -174.92 22.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.51 139.85 41.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 49.52 99.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -158.03 -62.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.58 -129.31 1.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.45 75.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.14 154.88 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.85 99.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -129.1 166.8 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 92' ' ' GLN . 2.8 p -133.21 140.64 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 78.3 mt -101.13 150.59 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.14 120.14 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.511 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 4.5 mm? -64.85 162.23 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.49 ' N ' HD13 ' A' ' 24' ' ' LEU . 31.0 p -152.58 162.94 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' THR . 1.2 tt0 -34.49 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -69.15 -70.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 3.9 mm-40 -53.13 -46.87 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 6.0 mp -40.56 -50.93 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 t -51.15 -42.97 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' GLU . 3.3 m -77.72 -42.11 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -62.78 -24.16 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 6.8 mm-40 -86.85 -37.58 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.85 -33.75 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 70' ' ' LEU . 96.8 t -71.96 -42.18 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 87' ' ' PHE . 7.9 ttm180 -54.16 -33.85 58.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.56 -29.25 62.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.471 HG12 ' CB ' ' A' ' 66' ' ' GLU . 67.0 t -65.6 -47.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.538 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 10.8 m0 -59.16 -59.94 4.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -49.72 -58.66 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -46.2 -48.67 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.93 -72.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 10.5 mt -61.82 110.75 3.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.98 -70.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' PRO . 7.6 mmpt? -38.61 -43.52 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 59.5 t -52.32 111.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -26.27 27.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -151.39 151.88 32.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.45 110.46 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -96.43 -174.64 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.49 -19.97 48.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 25.1 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.94 102.66 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.14 120.33 13.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CE1' HD22 ' A' ' 63' ' ' LEU . 62.8 t80 -57.96 -17.67 18.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.8 m-30 -93.45 -66.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -39.82 -41.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -45.12 -72.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.29 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -94.98 137.93 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.01 -162.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -82.3 -15.04 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.17 -37.39 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.24 -37.93 70.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 82.0 t -51.16 -52.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.2 t -68.65 -36.29 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -59.93 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 50' ' ' PHE . 3.4 tp -51.2 -47.05 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 45.9 t -63.04 -46.71 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 2.2 mm-40 -61.71 -44.24 97.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' CB ' HG12 ' A' ' 33' ' ' VAL . 2.5 mt-10 -61.93 -55.38 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' CG1' HD12 ' A' ' 94' ' ' LEU . 51.2 t -57.52 -21.87 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.36 -44.55 78.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.34 -12.59 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' CD1' HG22 ' A' ' 30' ' ' VAL . 16.2 mt -77.25 -45.96 24.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -107.53 14.24 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 61.87 95.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 50.87 45.2 49.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 71' ' ' CYS . 18.0 tp -47.02 155.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 36.9 mt-10 -86.31 61.03 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.479 HD12 ' CD ' ' A' ' 97' ' ' LYS . 7.4 tp -107.44 156.58 18.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.49 153.23 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -44.97 -34.42 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.4 -47.76 80.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -48.69 -48.08 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 61.6 t -62.03 -50.35 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -62.44 -14.39 40.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -44.35 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.25 81.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.1 p -66.05 -53.49 37.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.3 p -68.54 149.03 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 5.0 t80 -58.66 -57.71 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.21 -55.03 3.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.74 -47.84 81.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CE1' ' OD2' ' A' ' 80' ' ' ASP . 68.0 t80 -54.47 -57.84 9.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 28.0 mm -41.39 -54.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.47 ' CG ' HG23 ' A' ' 16' ' ' VAL . 1.6 mp0 -48.34 -50.65 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.07 -50.1 71.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 98' ' ' LEU . 1.4 tp -52.76 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.431 ' CG2' HD11 ' A' ' 19' ' ' LEU . 42.2 t -42.3 -53.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.406 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 23.5 mtt180 -48.26 -43.08 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.479 ' CD ' HD12 ' A' ' 76' ' ' LEU . 46.8 mttm -68.61 -41.4 79.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 94' ' ' LEU . 18.4 mt -54.87 -60.08 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -52.31 -45.56 65.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.61 139.7 6.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 179.88 42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.22 167.15 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.94 146.87 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 176.14 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.4 81.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.029 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.89 -172.48 33.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.89 20.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -143.3 -62.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 p -50.05 141.14 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.01 85.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.22 -58.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.61 -156.42 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -162.6 109.0 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -165.6 131.27 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.94 -69.2 0.49 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 53.66 57.78 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 38.21 57.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 133.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.81 -127.98 1.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.95 139.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.04 -62.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.73 79.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -141.44 170.02 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.37 137.34 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 16.6 mt -79.17 156.43 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 5.3 tt0 -103.71 124.96 49.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -64.16 178.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 22' ' ' ALA . 30.6 p -142.01 158.84 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -28.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.26 -61.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 4.8 mm-40 -48.78 -45.63 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 10.7 mt -47.98 -39.61 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 55.5 t -71.97 -33.16 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -72.92 -44.35 61.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.54 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 9.7 pt-20 -55.66 -34.91 65.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.08 -33.97 77.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 70' ' ' LEU . 21.2 t -72.39 -42.21 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.6 ttm180 -55.01 -39.36 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -62.41 -31.87 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.08 -46.59 95.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.503 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.6 m0 -61.53 -58.2 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -49.58 -56.22 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -51.53 -45.29 62.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 21.6 mt -69.18 -71.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 17.5 mt -58.53 110.05 2.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -40.16 -42.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 98.9 t -58.96 115.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -27.03 21.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -146.26 141.54 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG2' HG13 ' A' ' 41' ' ' VAL . 2.4 t -114.55 134.61 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -125.67 -178.96 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.53 4.66 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -111.55 -16.9 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 157.15 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' OD2' ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -116.19 124.0 49.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CE1' HD22 ' A' ' 63' ' ' LEU . 75.3 t80 -55.23 -20.91 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.9 m-85 -92.9 -67.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 1.4 mptp? -41.43 -39.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 m -48.55 -51.44 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.46 42.15 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.1 166.76 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -53.85 -16.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.432 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 75.8 t -48.97 -45.49 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.7 t -73.82 -36.67 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -51.5 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.571 HD22 ' CE1' ' A' ' 50' ' ' PHE . 5.5 tp -56.82 -51.03 70.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.427 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 36.2 t -59.86 -40.71 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.94 -38.33 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.01 -54.7 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.505 ' CG1' ' CD2' ' A' ' 74' ' ' LEU . 58.7 t -59.88 -21.54 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -63.58 -42.07 98.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -24.89 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 30' ' ' VAL . 17.9 mt -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.8 t -95.91 -2.55 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' LYS . 20.4 t70 61.66 68.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 98.14 40.73 3.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 53.5 tp -58.37 138.46 56.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -77.46 56.84 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 tp -103.31 154.44 19.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -141.27 147.58 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -41.42 -32.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -59.33 -48.57 81.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.09 -48.13 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 57.8 t -60.53 -49.0 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 79' ' ' GLU . 16.1 m-30 -60.51 -17.41 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -46.14 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 83.77 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.545 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 89.7 p -69.56 -38.69 77.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.426 ' CG2' ' OD2' ' A' ' 49' ' ' ASP . 1.9 p -80.63 141.75 34.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 91' ' ' ILE . 74.3 t80 -56.04 -50.88 69.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.405 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -47.92 -52.97 15.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -40.05 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.58 -53.48 57.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.54 HG13 ' CE2' ' A' ' 87' ' ' PHE . 19.6 mm -44.34 -56.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.6 mp0 -47.85 -48.6 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.47 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.4 -45.05 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.4 tp -60.2 -59.04 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.0 t -47.26 -36.5 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -64.86 -47.76 76.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 10.0 mttm -66.67 -31.9 72.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 26' ' ' THR . 31.4 mt -71.26 -53.5 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 72.8 mtt180 -53.13 -48.11 68.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.73 109.62 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -160.89 141.17 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 0.804 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.63 141.12 51.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.51 149.28 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.81 148.58 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -61.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.92 98.63 1.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.55 18.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -172.16 140.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.46 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -55.87 159.36 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.67 105.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 131.43 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.63 149.89 52.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -67.23 -58.27 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.99 151.27 21.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.577 1.173 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -142.84 -52.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.62 177.52 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 56.21 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.58 67.07 0.38 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.89 99.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.41 84.75 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.96 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 p -136.46 104.77 5.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.44 141.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' NH1' ' A' ' 99' ' ' ARG . 67.3 mt -99.26 144.97 27.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.97 118.57 30.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' C ' ' CG2' ' A' ' 20' ' ' THR . 4.5 mm? -63.37 163.44 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 1.6 p -153.58 164.95 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.4 OUTLIER -35.2 -39.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.97 -72.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -51.77 -47.84 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 5.9 mp -40.21 -51.61 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 t -50.85 -42.35 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.1 m -78.46 -42.76 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.87 -26.23 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.2 mm-40 -82.9 -37.7 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.32 85.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 70' ' ' LEU . 39.5 t -63.56 -40.99 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -39.83 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -62.25 -32.52 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG12 ' CB ' ' A' ' 66' ' ' GLU . 44.3 t -62.69 -50.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.56 -45.23 85.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mm-40 -61.53 -57.73 10.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -53.0 -43.35 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' ' OD1' ' A' ' 59' ' ' ASP . 25.3 mt -64.52 -70.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 53' ' ' SER . 6.2 mt -68.89 113.24 14.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -40.17 -41.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.5 109.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.36 -32.09 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.16 138.59 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -112.81 123.46 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -120.56 -171.69 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -78.4 -19.15 53.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -88.8 -15.03 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 133.29 54.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.59 122.41 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD21 ' A' ' 63' ' ' LEU . 23.4 t80 -45.03 -36.46 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' LYS . 26.6 m-85 -83.06 -65.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PHE . 21.5 mttt -39.12 -33.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 4.9 m -62.91 -74.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.41 40.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -87.75 139.58 30.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.46 -174.49 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -71.17 -17.09 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -90.72 -33.29 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 50.1 t0 -59.31 -36.33 75.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 64.2 t -52.06 -51.68 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 39.8 t -68.81 -33.48 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -61.76 -56.95 14.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 50' ' ' PHE . 3.3 tp -56.35 -49.69 73.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 60' ' ' VAL . 38.5 t -61.34 -40.73 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.5 mm-40 -67.93 -40.46 83.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' CB ' HG12 ' A' ' 33' ' ' VAL . 3.0 mt-10 -64.44 -56.43 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 94' ' ' LEU . 89.6 t -59.27 -17.6 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -68.14 -48.96 63.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -17.92 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' CD1' HG22 ' A' ' 30' ' ' VAL . 13.3 mt -68.53 -47.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.0 t -104.53 9.87 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' LYS . 28.6 t0 62.24 81.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.4 44.96 57.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 98' ' ' LEU . 44.7 tp -50.15 149.96 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.06 60.21 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 93' ' ' LEU . 9.2 tp -109.01 147.16 32.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.25 156.58 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.98 -32.67 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -50.57 73.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -45.63 -51.67 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 59.6 t -55.92 -46.23 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -65.63 -27.57 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.82 -38.59 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -127.05 92.67 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -77.46 -31.83 54.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.5 p -86.26 147.38 26.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -57.26 -56.61 19.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.75 -59.66 2.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.58 -50.38 74.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.338 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -52.19 -61.65 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.4 mm -40.07 -54.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -48.95 -47.71 43.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' HG ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -64.04 -45.78 87.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.473 HD12 ' CG1' ' A' ' 67' ' ' VAL . 3.2 tp -59.23 -57.77 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 19' ' ' LEU . 76.5 t -46.51 -35.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -50.48 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.461 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 14.2 mttm -63.92 -33.76 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 26' ' ' THR . 41.9 mt -67.65 -58.89 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.415 ' NH1' HD22 ' A' ' 17' ' ' LEU . 74.6 mtt180 -52.17 -42.28 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 101' ' ' ASP . . . -58.6 -87.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 100' ' ' GLY . 3.5 t70 81.06 155.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -88.44 123.91 33.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.69 -61.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -177.74 120.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.3 p -177.1 115.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 43.77 -111.58 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 94.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -59.82 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 t 59.93 104.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 42.0 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 95' ' ' VAL . 3.4 mm? -61.28 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 17.2 p -148.91 162.55 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.18 -32.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.49 -61.04 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HB3' HD12 ' A' ' 19' ' ' LEU . 6.4 mt-10 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 24' ' ' LEU . 11.6 mt -49.73 -49.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.97 -50.25 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.819 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -56.8 -45.07 82.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.15 66.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -32.18 56.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.63 89.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.775 HG21 ' CD2' ' A' ' 94' ' ' LEU . 10.6 t -66.49 -38.06 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -56.63 -43.18 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -57.29 -34.91 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.66 -54.76 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -54.42 -58.57 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -48.62 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -47.37 -47.15 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 mt -65.29 -73.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.2 mt -61.26 110.93 3.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -40.02 -42.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -55.52 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -28.77 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.92 148.0 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.47 109.68 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 175.93 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -4.06 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -108.06 -7.06 16.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.66 122.25 22.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.615 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.2 OUTLIER -88.15 126.86 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 67.6 t80 -57.86 -21.34 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.1 m-85 -92.05 -66.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -40.64 -46.89 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.664 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.9 m -39.62 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.34 40.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -96.38 146.47 24.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.34 -163.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 p -81.56 -7.05 59.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.6 -41.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -34.68 60.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.882 ' O ' HG23 ' A' ' 64' ' ' VAL . 76.8 t -53.24 -49.3 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' HG3' ' A' ' 65' ' ' GLU . 21.8 t -72.04 -36.6 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -53.29 59.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.3 tp -57.59 -47.08 83.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 60' ' ' VAL . 48.2 t -63.82 -41.99 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.441 ' HG3' HG12 ' A' ' 61' ' ' VAL . 3.8 mm-40 -66.39 -42.7 87.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.42 -56.13 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.783 HG12 ' CD2' ' A' ' 74' ' ' LEU . 66.9 t -58.36 -23.29 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -64.02 -41.8 97.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.92 -22.44 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.2 mt -67.48 -49.27 64.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.9 t -95.02 -1.92 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . 19.0 t0 61.98 68.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.33 40.81 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.783 ' CD2' HG12 ' A' ' 67' ' ' VAL . 46.4 tp -58.04 130.48 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -72.5 63.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD23 HG13 ' A' ' 64' ' ' VAL . 14.5 tp -107.11 160.58 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -146.98 152.07 38.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 9.2 m-20 -44.22 -34.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -48.94 76.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.68 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -45.61 -48.18 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.68 HG23 ' OD1' ' A' ' 80' ' ' ASP . 48.3 t -61.88 -48.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.713 ' CE1' HG11 ' A' ' 60' ' ' VAL . 7.8 m-30 -62.36 -17.42 58.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -45.62 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.11 85.42 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 92.3 p -73.08 -38.96 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.615 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.0 p -79.03 146.65 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 78.1 t80 -59.51 -54.49 46.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -43.4 -56.5 4.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.5 -54.39 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.418 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 60.6 t80 -45.84 -55.44 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.5 mm -43.32 -58.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.411 ' N ' ' OE1' ' A' ' 92' ' ' GLN . 1.3 mp0 -45.46 -47.31 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.96 -48.15 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.775 ' CD2' HG21 ' A' ' 30' ' ' VAL . 4.0 tp -57.62 -60.66 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.546 HG12 ' NE ' ' A' ' 99' ' ' ARG . 60.0 t -45.09 -39.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -60.6 -45.2 94.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -69.37 -33.45 73.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.819 ' CD1' HG21 ' A' ' 26' ' ' THR . 10.9 mt -68.18 -57.31 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.546 ' NE ' HG12 ' A' ' 95' ' ' VAL . 22.1 mtt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.5 mm? -60.57 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 12.1 p -147.39 168.69 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.44 -38.66 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HB3' HD12 ' A' ' 19' ' ' LEU . 10.3 mt-10 -43.34 -50.11 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -43.03 -52.71 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.28 -50.09 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.757 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.07 72.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.05 -32.33 61.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.31 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.634 HG21 HD22 ' A' ' 94' ' ' LEU . 13.1 t -75.01 -42.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.2 ttm180 -54.33 -39.27 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -60.57 -31.65 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' OE2' ' A' ' 66' ' ' GLU . 42.2 t -63.81 -57.68 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 11.9 m0 -49.43 -51.43 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -50.53 -62.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -51.37 -49.38 61.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.919 HD13 ' OD1' ' A' ' 59' ' ' ASP . 19.9 mt -60.47 -74.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.866 HD22 ' HB3' ' A' ' 53' ' ' SER . 16.4 mt -60.87 111.08 3.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 -72.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 3.3 mmtt -39.72 -42.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 90.7 t -59.45 115.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -38.44 14.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -130.62 139.37 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 48' ' ' THR . 2.7 t -116.71 119.57 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.02 -171.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.19 -16.41 57.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.9 t -99.55 -3.42 33.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.606 HG21 HG22 ' A' ' 44' ' ' VAL . 1.3 m -64.41 149.49 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -109.24 153.74 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 19.6 t80 -87.75 -63.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.54 -58.27 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -44.3 -54.93 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.866 ' HB3' HD22 ' A' ' 38' ' ' LEU . 2.2 m -42.58 -69.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.79 40.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -92.35 132.91 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.06 -178.45 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -67.95 -18.55 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.952 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 m -86.62 -37.94 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.919 ' OD1' HD13 ' A' ' 37' ' ' ILE . 51.0 t0 -53.78 -41.65 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 64' ' ' VAL . 85.7 t -48.18 -50.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.416 HG12 ' HG3' ' A' ' 65' ' ' GLU . 21.8 t -68.68 -35.51 70.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -62.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 67' ' ' VAL . 3.9 tp -49.27 -49.04 45.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 60' ' ' VAL . 53.3 t -60.84 -44.32 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.9 mm-40 -63.84 -41.9 97.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.531 ' OE2' HG13 ' A' ' 33' ' ' VAL . 3.3 mt-10 -61.87 -56.89 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.781 HG12 ' CD2' ' A' ' 74' ' ' LEU . 80.2 t -58.22 -22.47 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -63.87 -41.63 97.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.1 -23.7 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 15.2 mt -64.6 -50.48 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 3.1 t -95.7 -1.52 49.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 22.3 t70 61.65 69.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.77 40.52 3.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.781 ' CD2' HG12 ' A' ' 67' ' ' VAL . 62.2 tp -57.68 133.07 55.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.35 61.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.648 HD23 HG13 ' A' ' 64' ' ' VAL . 13.4 tp -105.34 151.92 23.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.15 151.28 46.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 56.4 m-80 -46.29 -31.63 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -50.82 72.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.499 ' OD1' HD11 ' A' ' 93' ' ' LEU . 53.4 m-20 -49.05 -46.13 43.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 64' ' ' VAL . 55.6 t -61.7 -44.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 19.4 m-30 -65.27 -13.39 58.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -45.43 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.13 84.46 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -72.49 -28.02 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.966 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -92.35 142.36 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 54.5 t80 -55.68 -59.49 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' PHE . . . -36.22 -60.64 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -58.25 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -41.64 -55.14 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.612 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 23.0 mm -43.13 -55.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.36 -48.45 46.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.7 -45.84 88.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.634 HD22 HG21 ' A' ' 30' ' ' VAL . 4.1 tp -58.33 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.92 -41.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -59.82 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HE3' HD11 ' A' ' 93' ' ' LEU . 11.0 mttm -64.6 -36.84 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.757 ' CD1' HG21 ' A' ' 26' ' ' THR . 16.1 mt -65.82 -56.09 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 24.5 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.7 mt-10 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.603 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.7 mm? -68.01 178.95 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' HD12 ' A' ' 24' ' ' LEU . 58.2 p -131.51 -159.08 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.54 -39.87 62.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.72 -58.17 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.603 ' HB3' HD12 ' A' ' 19' ' ' LEU . 13.6 mm-40 -43.52 -52.12 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 20' ' ' THR . 14.7 mt -42.23 -53.41 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.68 -47.21 79.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.646 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.0 m -60.15 -45.91 91.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.25 -36.28 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -37.22 67.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.76 91.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG12 ' HE1' ' A' ' 87' ' ' PHE . 42.8 t -63.16 -46.08 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -50.58 -40.47 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 t -61.64 -34.21 75.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 66' ' ' GLU . 45.7 t -61.58 -47.65 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.5 m0 -58.21 -58.91 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.468 HE22 ' HA ' ' A' ' 43' ' ' GLU . 6.4 mm100 -50.45 -57.5 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -46.69 -46.52 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.8 -71.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.807 HD22 ' HB3' ' A' ' 53' ' ' SER . 15.1 mt -60.77 110.76 3.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -40.48 -42.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 53.6 t -55.69 113.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.12 -32.59 18.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HA ' HE22 ' A' ' 35' ' ' GLN . 1.6 mt-10 -138.96 147.79 42.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.85 114.11 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -111.07 -177.23 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.52 2.04 27.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -114.25 -4.16 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.0 118.95 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -87.14 118.03 26.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CE2' ' HB1' ' A' ' 55' ' ' ALA . 20.5 t80 -41.11 -41.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.3 m-85 -75.61 -63.31 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -39.21 -32.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.807 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.6 m -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.4 42.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -91.59 127.5 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.55 -165.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -83.2 -12.58 56.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -92.73 -36.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.6 -37.12 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.907 ' O ' HG23 ' A' ' 64' ' ' VAL . 87.8 t -49.74 -50.71 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.8 t -69.64 -39.61 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -54.12 -57.05 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.476 HD12 HG23 ' A' ' 67' ' ' VAL . 5.6 tp -54.01 -47.92 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 60' ' ' VAL . 37.5 t -61.4 -39.2 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.81 -42.55 77.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.6 mt-10 -61.19 -56.91 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.783 HG12 ' CD2' ' A' ' 74' ' ' LEU . 94.5 t -57.5 -23.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -20.55 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 30' ' ' VAL . 16.4 mt -69.14 -49.02 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -98.39 -0.36 43.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.8 t70 62.0 77.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 85.23 40.29 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.783 ' CD2' HG12 ' A' ' 67' ' ' VAL . 61.7 tp -56.78 133.83 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.04 60.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.71 HD11 HD21 ' A' ' 93' ' ' LEU . 8.9 tp -106.99 146.19 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -123.91 145.44 49.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' HA ' HG21 ' A' ' 64' ' ' VAL . 13.0 m-20 -41.15 -39.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -55.3 -49.34 72.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.635 ' OD2' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -37.92 -35.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.624 ' HB ' HG13 ' A' ' 60' ' ' VAL . 61.1 t -72.82 -57.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.714 ' CE1' HG11 ' A' ' 60' ' ' VAL . 66.8 m-85 -57.25 -15.54 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -43.85 10.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 89' ' ' ASP . . . -121.41 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.401 ' OG ' ' OD2' ' A' ' 49' ' ' ASP . 85.4 p -59.02 -36.31 74.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.665 HG23 ' OD1' ' A' ' 49' ' ' ASP . 3.8 p -79.79 140.82 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 39.6 t80 -57.51 -54.12 50.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.01 -58.83 3.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 0.4 OUTLIER -61.23 -51.09 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -47.46 -48.55 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.529 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 31.8 mm -53.14 -50.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -50.93 -45.32 60.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.71 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -67.2 -47.02 72.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.566 HD13 HG11 ' A' ' 67' ' ' VAL . 5.5 tp -58.46 -60.0 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.544 HG12 ' HD2' ' A' ' 99' ' ' ARG . 56.4 t -46.43 -38.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.45 -45.47 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 8.4 mttm -69.75 -34.06 73.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.646 ' CD1' HG21 ' A' ' 26' ' ' THR . 14.0 mt -68.2 -53.96 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.544 ' HD2' HG12 ' A' ' 95' ' ' VAL . 26.6 mtt180 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 32.7 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.9 mm? -58.22 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.1 p -140.92 -162.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.82 -39.97 83.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . -86.07 -61.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.51 ' HB3' HD12 ' A' ' 19' ' ' LEU . 7.4 mt-10 -38.3 -49.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.2 mt -48.15 -54.67 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -51.98 -50.38 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.794 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.7 m -59.62 -47.2 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.09 -35.05 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -34.01 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG12 ' HE1' ' A' ' 87' ' ' PHE . 43.4 t -64.53 -46.92 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -48.23 -40.59 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -60.83 -34.83 75.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.41 HG13 ' CD ' ' A' ' 66' ' ' GLU . 46.8 t -60.07 -57.67 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.494 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.8 m0 -48.29 -57.26 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.061 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 41' ' ' VAL . 6.2 mm100 -52.72 -59.31 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -42.76 14.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.8 mt -71.78 -71.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.5 mt -64.9 112.22 7.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.98 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.419 1.747 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 4.9 mtmt -40.05 -42.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -56.02 112.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.3 mp -90.23 -34.38 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.1 tt0 -133.19 138.61 46.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 t -113.82 108.98 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -111.01 179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.63 -9.41 58.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -97.62 -15.37 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.21 121.55 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.65 120.24 33.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 19.8 t80 -44.22 -30.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.8 m-85 -86.01 -65.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -40.35 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.715 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.6 m -63.48 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.5 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -93.68 130.84 39.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.25 -162.96 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -84.61 -10.22 57.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -91.09 -39.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -34.94 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 64' ' ' VAL . 80.6 t -53.51 -50.0 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.561 HG22 ' OD1' ' A' ' 78' ' ' ASN . 39.8 t -71.13 -33.52 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.03 -60.61 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.3 tp -49.54 -45.62 47.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 60' ' ' VAL . 48.4 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.13 -41.3 99.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' CD ' HG13 ' A' ' 33' ' ' VAL . 3.2 mt-10 -61.75 -57.25 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.77 HG12 ' CD2' ' A' ' 74' ' ' LEU . 81.9 t -57.9 -22.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -63.74 -43.62 95.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -23.85 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 30' ' ' VAL . 16.2 mt -65.47 -49.99 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.67 -0.69 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . 11.5 t70 61.62 70.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.11 40.91 4.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.77 ' CD2' HG12 ' A' ' 67' ' ' VAL . 56.3 tp -56.47 141.57 42.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -80.46 59.65 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.788 ' HB3' HG13 ' A' ' 64' ' ' VAL . 7.3 tp -105.62 148.58 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 152.96 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.561 ' OD1' HG22 ' A' ' 61' ' ' VAL . 58.1 m-80 -45.44 -31.14 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -50.95 71.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.778 ' OD1' HD11 ' A' ' 93' ' ' LEU . 60.7 m-20 -45.44 -50.16 12.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 46.8 t -57.44 -43.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.739 ' CE1' HG11 ' A' ' 60' ' ' VAL . 11.9 m-30 -68.54 -28.35 66.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.7 mmt -76.53 -45.34 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -120.35 88.54 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.411 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 97.1 p -73.18 -31.97 64.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.0 p -88.22 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 33.6 t80 -48.68 -48.02 40.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.12 -64.5 3.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.529 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 5.8 t0 -54.69 -45.55 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.549 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 71.1 t80 -55.52 -60.59 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.643 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 29.3 mm -41.35 -55.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -47.89 -44.49 29.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.778 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -67.88 -46.27 72.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 98' ' ' LEU . 4.4 tp -59.03 -58.13 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.43 HG21 HD11 ' A' ' 19' ' ' LEU . 65.1 t -46.75 -34.27 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -67.35 -47.09 71.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HE3' HD11 ' A' ' 93' ' ' LEU . 8.2 mttm -69.3 -36.03 76.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.794 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.8 mt -66.39 -49.38 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 80.9 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -52.35 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 61.8 p -147.86 -171.79 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.94 -35.47 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 -59.34 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 7.4 mt-10 -41.8 -47.02 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.65 -58.02 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -51.51 -48.41 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.803 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -59.01 -42.08 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.74 84.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -32.87 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.46 -44.67 86.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.62 HG21 ' CD2' ' A' ' 94' ' ' LEU . 17.3 t -66.84 -41.76 88.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -58.38 -36.61 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -63.83 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.757 HG13 ' OE2' ' A' ' 66' ' ' GLU . 46.0 t -65.82 -45.88 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.533 ' HE1' HD11 ' A' ' 63' ' ' LEU . 12.2 m0 -58.35 -56.67 19.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -46.25 -58.35 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -52.74 -43.9 66.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 58.7 mt -64.73 -72.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 53' ' ' SER . 13.0 mt -65.82 112.67 9.39 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -41.44 -41.75 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.432 HG21 HD13 ' A' ' 38' ' ' LEU . 76.2 t -59.05 117.68 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 -27.07 18.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.98 147.01 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.2 t -112.16 105.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -173.77 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.49 -19.18 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -93.87 -8.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.42 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.51 116.18 23.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CE1' HD22 ' A' ' 63' ' ' LEU . 44.1 t80 -45.25 -28.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 17.2 m-85 -87.12 -66.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PHE . 28.7 mttt -38.97 -39.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.845 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.2 m -51.3 -72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.63 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.02 -166.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -77.65 -13.34 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.54 -40.0 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.8 m-20 -52.95 -34.44 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.886 ' O ' HG23 ' A' ' 64' ' ' VAL . 63.1 t -61.72 -54.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG22 ' OD1' ' A' ' 78' ' ' ASN . 11.6 t -69.49 -38.31 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.08 -39.46 94.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.533 HD11 ' HE1' ' A' ' 34' ' ' TRP . 12.7 tp -68.78 -51.1 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.959 HG13 HD23 ' A' ' 76' ' ' LEU . 30.7 t -60.63 -37.41 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -37.63 82.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.757 ' OE2' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -65.36 -56.17 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.789 HG12 ' CD2' ' A' ' 74' ' ' LEU . 57.8 t -57.48 -22.71 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' NZ ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.7 -25.15 61.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.57 -50.7 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.5 t -94.37 -3.59 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.3 t0 61.4 66.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 101.8 39.13 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.789 ' CD2' HG12 ' A' ' 67' ' ' VAL . 54.8 tp -58.31 138.77 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.43 58.75 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.959 HD23 HG13 ' A' ' 64' ' ' VAL . 10.9 tp -105.51 157.86 17.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.54 157.38 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.526 ' OD1' HG22 ' A' ' 61' ' ' VAL . 68.6 m-20 -51.35 -32.39 25.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.2 -47.77 82.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -46.95 -45.22 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.42 -48.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -60.25 -14.3 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.04 -44.42 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.14 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.4 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 90.1 p -74.34 -41.21 61.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 p -75.51 147.0 40.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.654 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 61.8 t80 -59.38 -47.26 86.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' O ' ' NE2' ' A' ' 92' ' ' GLN . . . -51.87 -50.37 44.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.87 -58.61 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.654 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 25.4 mm -42.31 -54.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 88' ' ' GLY . 1.1 mp0 -49.37 -45.57 46.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.522 HD11 ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -66.55 -47.28 73.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.62 ' CD2' HG21 ' A' ' 30' ' ' VAL . 6.4 tp -58.01 -60.62 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.66 -35.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.522 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.2 mttp -68.48 -35.55 77.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.803 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.9 mt -67.49 -51.06 55.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 74.1 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 10.3 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.2 mm? -60.07 -177.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ALA . 29.2 p -143.86 158.93 43.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.34 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.93 -61.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.505 ' OE1' HG22 ' A' ' 95' ' ' VAL . 11.9 mm-40 -50.24 -48.81 54.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 24' ' ' LEU . 8.9 mt -40.69 -44.5 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.08 -45.31 87.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.693 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -61.32 -44.41 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.27 -34.37 70.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.05 -32.06 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.29 87.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 94' ' ' LEU . 23.1 t -60.63 -41.59 88.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -52.48 -42.91 64.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -57.92 -34.73 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 66' ' ' GLU . 40.8 t -61.81 -57.19 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.2 m0 -52.95 -55.34 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.612 HE22 ' HA ' ' A' ' 43' ' ' GLU . 7.4 mm100 -51.06 -61.48 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -47.23 -34.63 6.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.939 HD13 ' OD1' ' A' ' 59' ' ' ASP . 50.9 mt -78.21 -76.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 53' ' ' SER . 41.0 mt -51.6 104.71 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -72.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -40.7 -33.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 64.3 t -68.42 136.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -97.51 -46.17 6.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.612 ' HA ' HE22 ' A' ' 35' ' ' GLN . 2.4 tt0 -135.43 143.24 45.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -102.24 118.13 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 0.8 OUTLIER -104.74 -176.44 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 110.334 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.9 -18.94 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 -3.19 45.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.408 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -71.93 132.4 44.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.368 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.7 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.04 121.8 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 54.2 t80 -49.28 -35.81 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.6 m-85 -81.3 -67.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 19.5 mtmt -41.05 -38.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.731 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.7 m -52.99 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.74 41.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -91.39 134.47 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.6 -177.59 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 p -67.73 -17.07 64.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -90.38 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.939 ' OD1' HD13 ' A' ' 37' ' ' ILE . 47.8 t0 -54.71 -39.38 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 64' ' ' VAL . 78.3 t -48.24 -51.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' HG3' ' A' ' 65' ' ' GLU . 13.1 t -68.71 -42.19 82.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -54.3 -50.98 66.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.72 -56.71 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.895 HG13 HD23 ' A' ' 76' ' ' LEU . 21.7 t -56.08 -51.13 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.1 mm-40 -54.93 -49.51 71.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.2 mm-40 -51.6 -59.2 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.781 HG12 HD23 ' A' ' 74' ' ' LEU . 89.2 t -50.37 -45.9 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -40.34 -36.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.34 -44.41 45.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' VAL . 19.6 mt -49.32 -52.18 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.509 ' HB3' ' CB ' ' A' ' 74' ' ' LEU . 19.8 t -85.43 -26.81 26.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 18.8 t70 63.22 54.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.82 37.02 0.49 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.781 HD23 HG12 ' A' ' 67' ' ' VAL . 1.8 tp -90.01 164.0 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.734 ' H ' HD12 ' A' ' 74' ' ' LEU . 16.9 pt-20 -108.8 115.23 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.895 HD23 HG13 ' A' ' 64' ' ' VAL . 9.9 tp -154.26 141.34 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -126.43 155.07 42.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 67.4 m-80 -48.92 -32.48 9.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -44.77 87.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 76' ' ' LEU . 82.3 m-20 -55.01 -40.02 69.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.09 -40.88 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.694 ' CE1' HG11 ' A' ' 60' ' ' VAL . 12.1 m-30 -68.12 -16.55 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.5 tpt -92.57 -47.78 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.85 83.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 62.5 p -72.93 -31.51 64.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.7 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -84.41 142.46 30.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 91' ' ' ILE . 69.9 t80 -54.65 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -37.64 -56.04 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.43 -53.38 58.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -47.93 -58.96 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 87' ' ' PHE . 25.3 mm -40.67 -55.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -48.66 -47.59 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -65.45 -46.55 79.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 30' ' ' VAL . 3.8 tp -58.78 -58.52 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.505 HG22 ' OE1' ' A' ' 23' ' ' GLU . 70.7 t -46.49 -41.84 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -60.87 -41.1 95.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.437 ' HE2' HD11 ' A' ' 93' ' ' LEU . 13.8 mttp -69.84 -39.6 76.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.693 ' CD1' HG21 ' A' ' 26' ' ' THR . 19.5 mt -63.67 -61.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 94.4 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.5 mm? -60.83 179.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -135.62 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -40.03 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.65 -59.6 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.6 mt-10 -39.62 -52.12 2.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 24' ' ' LEU . 14.1 mt -44.73 -55.53 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -50.99 -47.5 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.713 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.4 m -62.34 -44.54 96.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.82 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -38.1 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 70' ' ' LEU . 41.2 t -65.19 -46.1 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -48.8 -38.11 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -63.39 -31.85 73.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.627 HG13 ' OE2' ' A' ' 66' ' ' GLU . 46.2 t -62.57 -46.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.5 m0 -60.91 -57.58 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 42' ' ' LEU . 5.6 mm100 -51.13 -55.86 15.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -53.42 -34.81 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 52.5 mt -75.35 -64.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' ' 53' ' ' SER . 5.9 mt -75.86 113.82 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -41.47 -40.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 83.6 t -59.51 118.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.518 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.1 mt -92.09 -25.07 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -143.02 148.85 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.6 t -122.33 81.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -177.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.13 -6.74 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -9.45 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.411 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -65.64 121.81 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.496 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -84.01 129.76 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.519 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 49.9 t80 -66.76 -18.83 65.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.8 m-85 -93.2 -65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PHE . 6.4 mptt -40.04 -44.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.847 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.7 m -42.94 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.05 40.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -88.81 144.5 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.44 -167.93 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -73.37 -20.58 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.23 -35.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.496 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.9 m-20 -56.88 -34.05 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.769 ' O ' HG23 ' A' ' 64' ' ' VAL . 72.0 t -62.48 -55.85 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 12.8 t -68.1 -37.57 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD22 ' CE1' ' A' ' 50' ' ' PHE . 11.0 tp -65.04 -57.13 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.91 HG13 HD23 ' A' ' 76' ' ' LEU . 23.7 t -55.35 -40.28 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.3 mm-40 -63.5 -40.68 97.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.627 ' OE2' HG13 ' A' ' 33' ' ' VAL . 1.5 mt-10 -64.22 -56.08 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.78 HG12 ' CD2' ' A' ' 74' ' ' LEU . 54.4 t -58.59 -22.75 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD2' HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -63.78 -42.86 97.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.7 -24.49 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.587 HD12 HG22 ' A' ' 30' ' ' VAL . 13.7 mt -64.88 -50.22 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 t -94.39 -1.0 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.1 t0 61.05 68.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 97.88 40.09 3.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.78 ' CD2' HG12 ' A' ' 67' ' ' VAL . 36.8 tp -57.35 138.03 55.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 59.61 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.91 HD23 HG13 ' A' ' 64' ' ' VAL . 11.2 tp -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.44 154.88 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -45.23 -33.57 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -48.64 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -48.47 -44.97 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.428 HG21 ' CG2' ' A' ' 64' ' ' VAL . 48.9 t -63.64 -46.49 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE1' HG11 ' A' ' 60' ' ' VAL . 17.5 m-30 -60.95 -13.31 15.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.34 91.65 3.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.543 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 79.5 p -79.13 -37.2 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.496 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -81.81 132.75 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 29.3 t80 -43.83 -59.81 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.31 -55.8 2.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -61.08 -51.27 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 83.0 t80 -51.56 -60.94 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.9 mm -40.03 -54.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -48.32 -49.4 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.612 HD21 ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -62.6 -47.9 81.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 67' ' ' VAL . 4.1 tp -55.78 -58.12 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 19' ' ' LEU . 69.2 t -45.39 -50.07 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -43.51 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 11.5 mttm -72.14 -50.97 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.713 ' CD1' HG21 ' A' ' 26' ' ' THR . 12.4 mt -51.88 -44.38 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HD2' HG12 ' A' ' 95' ' ' VAL . 34.4 mtt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.9 mm? -70.94 176.21 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -131.19 -168.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.86 -37.27 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.74 -65.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.721 ' HB3' HD12 ' A' ' 19' ' ' LEU . 7.7 mt-10 -38.71 -53.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' GLU . 18.3 mt -40.15 -50.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.37 -45.6 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.772 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -64.26 -44.83 90.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.93 68.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.7 -34.04 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 94' ' ' LEU . 18.1 t -64.02 -45.95 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -48.32 -44.05 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -55.29 -36.28 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.86 -53.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.481 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.35 -54.57 34.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -55.13 -57.31 12.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -47.53 33.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.93 HG21 ' OD1' ' A' ' 59' ' ' ASP . 58.1 mt -66.98 -71.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 53' ' ' SER . 14.2 mt -58.02 109.65 1.96 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.97 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -39.43 -42.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 73.5 t -56.73 105.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.91 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -150.56 142.27 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 45' ' ' GLU . 2.2 t -105.63 160.58 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 7.4 pt-20 -152.41 -174.16 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -81.83 -19.03 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 -5.47 48.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -71.33 130.85 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' OD2' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.88 114.08 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 32.2 t80 -40.85 -36.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.5 m-85 -81.03 -67.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -41.79 -33.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.776 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.7 m -60.59 -73.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.01 41.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -93.37 134.33 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.33 -169.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.2 p -73.41 -19.32 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 m -88.77 -37.01 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.93 ' OD1' HG21 ' A' ' 37' ' ' ILE . 52.7 t0 -55.17 -39.79 69.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.879 ' O ' HG23 ' A' ' 64' ' ' VAL . 78.0 t -51.39 -53.04 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.19 -37.51 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -65.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.9 tp -47.12 -44.84 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 60' ' ' VAL . 61.8 t -64.5 -45.81 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.18 -41.23 99.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.95 -55.83 19.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.643 HG12 ' CD2' ' A' ' 74' ' ' LEU . 68.8 t -58.36 -20.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -65.88 -45.74 80.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.26 -22.13 65.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 70' ' ' LEU . 13.1 mt -66.38 -49.28 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.6 t -98.49 3.03 48.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 7.4 t70 62.33 75.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 83.77 42.21 7.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.643 ' CD2' HG12 ' A' ' 67' ' ' VAL . 60.6 tp -53.46 142.06 23.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -78.73 60.02 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.824 ' HB3' HG13 ' A' ' 64' ' ' VAL . 11.5 tp -103.5 163.43 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.77 162.77 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -55.75 -36.88 67.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.63 -41.78 97.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 76' ' ' LEU . 99.1 m-20 -58.05 -38.54 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG21 ' CG2' ' A' ' 64' ' ' VAL . 71.3 t -71.89 -51.83 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -55.94 -17.11 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -44.3 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.449 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.58 90.96 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 77.1 p -79.31 -32.56 43.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.502 HG23 ' OD2' ' A' ' 49' ' ' ASP . 2.4 p -84.16 141.35 31.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 91' ' ' ILE . 63.3 t80 -50.25 -60.45 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -60.42 2.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.83 -55.2 32.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.449 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 79.6 t80 -50.34 -55.41 15.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 87' ' ' PHE . 27.8 mm -44.92 -51.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -49.08 -49.39 41.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 30' ' ' VAL . 3.0 tp -57.37 -59.87 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 19' ' ' LEU . 78.5 t -45.67 -48.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.05 -47.02 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.36 -43.93 76.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.772 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.5 mt -58.11 -46.44 85.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.501 ' HD2' HG12 ' A' ' 95' ' ' VAL . 57.5 mtt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 11.5 pt-20 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.1 mm? -56.01 175.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.5 p -134.84 -158.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.39 -39.56 62.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 -59.37 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.63 ' OE2' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -42.87 -53.5 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.6 mt -39.95 -52.86 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.33 -48.11 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -60.28 -45.91 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.22 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -37.16 69.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.57 89.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG21 HD22 ' A' ' 94' ' ' LEU . 22.5 t -60.42 -44.04 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.78 -41.28 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -59.0 -35.01 72.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.72 -50.81 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 m0 -57.99 -58.9 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -49.55 -51.52 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 34.2 mt -62.97 -72.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.876 HD22 ' HB3' ' A' ' 53' ' ' SER . 20.8 mt -57.84 110.05 2.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -72.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 43.6 mttm -40.26 -41.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 68.9 t -59.39 115.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -29.3 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.3 tt0 -137.4 139.25 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 48' ' ' THR . 2.4 t -114.07 112.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -112.28 -172.88 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.55 -18.66 58.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.19 -7.27 45.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 44' ' ' VAL . 1.2 m -73.94 123.61 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.488 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -96.23 123.35 39.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 35.2 t80 -54.02 -30.79 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.3 m-30 -82.88 -63.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -44.17 -39.52 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.876 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.8 m -50.83 -39.98 54.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 124.99 40.91 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -95.38 130.58 42.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.6 164.76 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 p -53.02 -16.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.561 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -75.12 -59.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.561 ' N ' HG12 ' A' ' 58' ' ' VAL . 2.3 m-20 -47.09 -34.28 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 64' ' ' VAL . 55.9 t -49.33 -46.27 18.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 65' ' ' GLU . 14.4 t -72.87 -37.81 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 2.6 ttt85 -59.38 -56.99 15.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.544 HD12 HG23 ' A' ' 67' ' ' VAL . 4.8 tp -53.73 -55.18 28.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 60' ' ' VAL . 55.4 t -55.17 -40.08 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.58 -39.44 80.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 62' ' ' ARG . 2.2 mt-10 -64.45 -56.81 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.799 HG12 ' CD2' ' A' ' 74' ' ' LEU . 49.3 t -57.4 -21.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.12 -41.43 94.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.59 -22.38 61.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 30' ' ' VAL . 15.7 mt -66.45 -50.14 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.9 t -95.85 -1.52 49.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.5 t70 61.85 69.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.36 39.52 4.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.799 ' CD2' HG12 ' A' ' 67' ' ' VAL . 56.2 tp -57.1 130.55 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.56 59.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.683 ' HB3' HG13 ' A' ' 64' ' ' VAL . 9.4 tp -103.3 158.7 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -147.37 152.61 38.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -46.85 -30.31 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -37.1 85.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.685 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -55.98 -47.6 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.685 HG23 ' OD1' ' A' ' 80' ' ' ASP . 48.2 t -62.45 -46.45 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CE1' HG11 ' A' ' 60' ' ' VAL . 8.8 m-30 -60.93 -20.44 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -46.63 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -119.55 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 32.4 p -75.81 -34.21 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' OD1' ' A' ' 49' ' ' ASP . 16.7 p -85.4 144.98 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 50.6 t80 -53.4 -62.87 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' A' ' 92' ' ' GLN . . . -38.69 -52.85 2.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -64.34 -47.95 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.437 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 70.3 t80 -54.58 -55.26 31.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.562 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 29.4 mm -44.1 -58.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 88' ' ' GLY . 1.1 mp0 -45.81 -45.18 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -66.6 -46.33 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.52 HD13 HG11 ' A' ' 67' ' ' VAL . 3.7 tp -59.09 -59.12 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 74.4 t -44.83 -38.91 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -62.26 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.0 mttp -64.42 -38.14 89.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.63 HD12 ' OE2' ' A' ' 23' ' ' GLU . 14.8 mt -62.29 -54.79 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 89.2 mtt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.2 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.5 mm? -57.28 -178.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 22' ' ' ALA . 59.9 p -148.72 163.55 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -48.02 -22.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 20' ' ' THR . . . -88.68 -64.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.0 mm-40 -53.31 -46.18 69.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.8 mt -42.56 -41.7 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.3 -45.29 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.81 HG21 HD11 ' A' ' 98' ' ' LEU . 12.5 m -62.71 -48.46 79.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.43 -34.29 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.23 -39.35 48.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.69 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.691 HG22 HD12 ' A' ' 70' ' ' LEU . 49.2 t -66.39 -40.12 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -54.69 -36.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -65.86 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG13 ' OE1' ' A' ' 66' ' ' GLU . 46.8 t -63.51 -46.22 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 12.5 m0 -62.12 -56.29 20.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.028 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -53.06 -59.34 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -49.12 -43.5 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.413 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 19.4 mt -69.84 -71.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 53' ' ' SER . 14.1 mt -61.45 110.89 3.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -71.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 8.6 mttm -39.36 -43.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 67.3 t -54.73 113.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -30.36 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -146.61 151.41 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.437 HG22 HG21 ' A' ' 48' ' ' THR . 2.2 t -115.67 127.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -172.53 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -78.04 -20.8 51.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -13.03 38.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.437 HG21 HG22 ' A' ' 44' ' ' VAL . 1.3 m -65.59 128.33 35.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 t70 -105.15 120.54 41.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 33.9 t80 -45.67 -30.23 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 26.1 m-85 -85.99 -62.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 1.3 mmtt -40.57 -33.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.82 ' HB3' HD22 ' A' ' 38' ' ' LEU . 9.0 m -60.99 -49.01 79.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 130.29 41.71 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -95.11 130.69 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 58' ' ' VAL . . . -89.04 164.72 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.2 m -52.9 -16.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -73.9 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.584 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -48.97 -33.15 10.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 64' ' ' VAL . 75.9 t -49.9 -44.03 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.572 HG22 ' OD1' ' A' ' 78' ' ' ASN . 18.0 t -75.02 -36.22 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -58.79 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.43 HD12 HG23 ' A' ' 67' ' ' VAL . 3.8 tp -51.48 -49.82 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 60' ' ' VAL . 54.6 t -59.91 -42.9 90.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.01 -41.03 91.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' OE1' HG13 ' A' ' 33' ' ' VAL . 1.2 mm-40 -62.23 -56.79 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' A' ' 74' ' ' LEU . 87.4 t -57.43 -22.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -64.91 -44.15 90.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.08 -20.97 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 30' ' ' VAL . 13.4 mt -68.74 -47.89 65.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.3 t -98.86 1.95 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . 14.1 t0 61.25 73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 87.58 41.68 6.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.729 ' CD2' HG12 ' A' ' 67' ' ' VAL . 58.9 tp -54.58 143.35 24.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.7 60.93 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 64' ' ' VAL . 12.3 tp -108.15 160.97 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.51 152.31 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.572 ' OD1' HG22 ' A' ' 61' ' ' VAL . 66.9 m-80 -48.1 -32.05 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.53 -42.82 99.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.429 ' OD2' HD12 ' A' ' 76' ' ' LEU . 64.4 m-20 -53.18 -45.56 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 85.8 t -61.98 -42.75 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 60' ' ' VAL . 19.7 m-30 -66.19 -18.08 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.79 -44.42 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -116.69 86.37 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.5 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 60.8 p -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 48' ' ' THR . 18.1 p -82.25 143.99 30.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 12.7 t80 -53.94 -58.54 6.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.82 -55.81 2.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -49.49 74.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.444 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 77.7 t80 -52.7 -58.83 5.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.456 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 18.6 mm -42.83 -52.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -48.98 -48.77 42.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -63.0 -48.77 77.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 93' ' ' LEU . 4.4 tp -54.76 -59.46 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG1' ' NE ' ' A' ' 99' ' ' ARG . 52.5 t -45.57 -50.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -51.87 -50.61 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' HE3' HD12 ' A' ' 76' ' ' LEU . 49.5 mttm -62.68 -44.01 97.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 26' ' ' THR . 8.2 mt -54.55 -58.42 7.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.467 ' NE ' ' CG1' ' A' ' 95' ' ' VAL . 26.5 mtt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 4.0 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 95' ' ' VAL . 3.5 mm? -66.48 -176.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.2 p -145.98 165.07 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.26 -37.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.63 -62.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB3' HD12 ' A' ' 19' ' ' LEU . 4.6 mt-10 -42.7 -48.07 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -47.33 -51.54 19.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.36 -50.98 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.849 HG21 HD13 ' A' ' 98' ' ' LEU . 5.4 m -58.17 -45.46 87.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.67 75.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.75 -32.99 70.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.44 -31.92 73.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.613 HG21 HD22 ' A' ' 94' ' ' LEU . 13.9 t -73.89 -40.95 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.8 ttm180 -53.05 -39.99 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.04 -44.35 97.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' A' ' 66' ' ' GLU . 30.5 t -55.85 -33.16 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 87' ' ' PHE . 10.9 m0 -74.87 -43.17 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.51 -57.83 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CG ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.69 -25.43 27.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 32.8 mt -87.45 -38.59 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -104.38 104.68 46.01 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.445 ' C ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -65.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -39.6 -30.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' C ' ' A' ' 39' ' ' PRO . 72.9 t -73.31 107.94 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -35.73 62.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.61 146.81 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.84 150.3 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 -177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.19 2.06 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -106.81 -18.67 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.22 134.68 49.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.5 OUTLIER -101.07 120.83 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.406 ' CE2' ' HB1' ' A' ' 55' ' ' ALA . 13.8 t80 -37.95 -46.54 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 32.4 m-85 -71.82 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 mmpt? -40.17 -43.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.584 ' CB ' HD13 ' A' ' 38' ' ' LEU . 1.2 m -55.18 -63.47 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.86 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -92.54 121.97 34.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.21 -166.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 p -81.28 -10.65 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.27 -37.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -39.6 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 64' ' ' VAL . 85.4 t -49.33 -52.45 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.75 -38.08 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.28 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 67' ' ' VAL . 6.6 tp -52.38 -46.42 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 60' ' ' VAL . 92.8 t -61.89 -35.69 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.63 -46.69 36.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.631 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.2 mt-10 -54.44 -58.48 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.712 HG12 ' CD2' ' A' ' 74' ' ' LEU . 92.9 t -53.16 -35.61 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.14 -35.08 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.81 -32.17 52.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 70' ' ' LEU . 19.6 mt -56.14 -45.1 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.529 ' HB2' HD21 ' A' ' 98' ' ' LEU . 3.5 t -100.32 -13.37 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.3 t70 61.59 61.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.18 33.38 1.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.712 ' CD2' HG12 ' A' ' 67' ' ' VAL . 55.9 tp -62.28 150.78 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' H ' HD12 ' A' ' 74' ' ' LEU . 33.1 mt-10 -96.16 69.37 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 64' ' ' VAL . 16.1 tp -111.28 160.34 17.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.9 pt-20 -144.62 146.82 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -47.18 -33.59 5.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' CD ' ' CD ' ' A' ' 77' ' ' GLU . 3.8 pt-20 -62.01 -38.97 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 77' ' ' GLU . 69.8 m-20 -56.15 -44.25 79.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.38 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -64.96 -14.9 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -45.07 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -114.63 83.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.495 ' HG ' ' CG ' ' A' ' 49' ' ' ASP . 60.9 p -73.32 -31.76 64.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.665 HG23 ' OD1' ' A' ' 49' ' ' ASP . 3.2 p -85.08 130.4 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 86.5 t80 -46.39 -54.97 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.37 -61.18 2.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -57.51 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 78.3 t80 -41.48 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.2 mm -42.49 -57.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.17 -48.59 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 30' ' ' VAL . 1.4 tp -57.61 -57.37 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 19' ' ' LEU . 78.5 t -45.18 -41.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -59.96 -50.56 73.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -62.84 -46.39 88.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.849 HD13 HG21 ' A' ' 26' ' ' THR . 17.5 mt -57.39 -55.68 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 88.0 mtt180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.8 mm? -55.77 169.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.721 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.24 164.38 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -34.31 -46.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.45 -68.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' THR . 3.4 mt-10 -43.96 -51.52 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.6 mp -40.01 -55.32 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 21' ' ' GLU . 76.5 t -46.35 -43.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.94 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.8 m -76.5 -42.24 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.06 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.7 mm-40 -85.64 -38.18 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -62.71 -38.93 92.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.71 HG12 ' HE1' ' A' ' 87' ' ' PHE . 52.9 t -67.56 -43.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -53.75 -38.99 64.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 t -64.61 -31.95 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 29' ' ' ALA . 47.2 t -62.61 -46.7 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -62.99 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.02 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 42' ' ' LEU . 5.1 mm100 -52.68 -57.28 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -50.03 -44.83 51.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.45 -72.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 53' ' ' SER . 7.4 mt -64.91 112.25 7.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.41 -42.65 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 35' ' ' GLN . 71.3 t -57.59 114.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.3 mp -92.12 -32.98 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.2 tt0 -136.14 140.43 43.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 48' ' ' THR . 2.5 t -114.12 106.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -99.8 -172.12 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -12.46 59.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -101.25 -2.97 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.517 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -73.81 116.09 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.44 124.02 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.9 t80 -52.67 -22.77 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 29.2 m-85 -91.81 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PHE . 15.2 mtmt -39.35 -34.11 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.859 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.2 m -58.48 -70.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 42.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -94.75 130.53 41.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.05 -163.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.4 -15.66 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -85.74 -36.62 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -34.5 67.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.88 ' O ' HG23 ' A' ' 64' ' ' VAL . 88.4 t -54.03 -50.96 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' A' ' 65' ' ' GLU . 24.8 t -70.13 -35.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -57.63 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.63 -50.01 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' VAL . 43.2 t -61.58 -47.07 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.612 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.8 mm-40 -60.79 -40.8 93.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.06 -57.28 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.776 HG12 ' CD2' ' A' ' 74' ' ' LEU . 67.3 t -59.14 -22.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -63.29 -42.15 99.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.51 -25.59 63.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 34.9 mt -61.95 -51.27 68.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.444 ' HB2' HD21 ' A' ' 98' ' ' LEU . 3.8 t -95.13 -3.16 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.9 t0 62.27 67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 100.43 39.59 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.776 ' CD2' HG12 ' A' ' 67' ' ' VAL . 57.7 tp -57.68 138.8 55.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.81 63.18 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.788 HD23 HG13 ' A' ' 64' ' ' VAL . 9.9 tp -109.69 149.6 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -137.23 153.96 50.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 44.4 m-80 -47.32 -31.28 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -48.45 -51.27 27.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG21 ' CG2' ' A' ' 64' ' ' VAL . 57.5 t -55.99 -43.99 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 17.8 m-30 -67.83 -24.46 65.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mmt -84.37 -42.83 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.94 84.11 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 80.9 p -72.51 -35.28 68.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 48' ' ' THR . 14.6 p -82.96 144.13 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.71 ' HE1' HG12 ' A' ' 30' ' ' VAL . 19.7 t80 -57.02 -55.34 35.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.37 -58.22 3.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -59.81 -51.54 69.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -50.15 -59.33 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 25.1 mm -40.26 -56.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.2 mp0 -47.07 -49.87 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -62.1 -46.7 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.587 HD13 HG11 ' A' ' 67' ' ' VAL . 2.8 tp -58.18 -59.67 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 19' ' ' LEU . 71.2 t -44.44 -41.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -61.78 -52.71 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -60.62 -44.92 95.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.94 ' CD1' HG21 ' A' ' 26' ' ' THR . 15.9 mt -59.35 -54.64 44.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.757 ' HB3' HD12 ' A' ' 24' ' ' LEU . 3.0 mm? -52.48 166.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.752 ' C ' HD13 ' A' ' 24' ' ' LEU . 7.1 p -151.3 161.92 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -33.95 -42.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -70.48 -67.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.566 ' OE2' HD12 ' A' ' 98' ' ' LEU . 5.5 mm-40 -48.21 -49.77 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.9 mp -40.27 -53.38 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 21' ' ' GLU . 54.7 t -48.64 -43.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.72 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.4 m -75.9 -41.27 52.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.11 -21.17 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mm-40 -88.03 -36.9 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.11 -37.79 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 HG22 ' A' ' 67' ' ' VAL . 15.0 t -67.14 -40.84 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -55.11 -43.12 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -59.04 -35.68 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.7 t -59.9 -50.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.506 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.8 m0 -56.32 -60.01 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.433 ' OE1' HG12 ' A' ' 41' ' ' VAL . 6.5 mm100 -52.3 -57.71 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -40.3 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.408 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 68.4 mt -76.64 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 53' ' ' SER . 19.6 mt -61.13 111.13 3.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -41.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.433 HG12 ' OE1' ' A' ' 35' ' ' GLN . 75.9 t -59.28 115.61 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -27.14 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -140.82 139.19 34.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -112.62 114.0 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 11.4 pm0 -103.04 -177.17 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.2 -19.1 54.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.8 t -97.81 -0.83 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.406 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -75.89 121.41 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.499 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -88.98 125.81 35.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 39.5 t80 -54.81 -35.73 64.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.9 m-85 -76.7 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -41.85 -46.88 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.758 ' HB3' HD22 ' A' ' 38' ' ' LEU . 20.9 m -44.34 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.1 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.99 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.46 -163.95 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 p -81.2 -13.58 58.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -88.69 -42.27 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.1 m-20 -51.17 -44.18 61.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.874 ' O ' HG23 ' A' ' 64' ' ' VAL . 55.5 t -46.06 -51.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 t -66.75 -39.18 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -64.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 34' ' ' TRP . 3.3 tp -47.02 -46.96 22.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 60' ' ' VAL . 58.2 t -63.12 -49.06 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 2.1 mm-40 -58.64 -45.77 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.88 -55.58 32.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.643 HG22 HG22 ' A' ' 30' ' ' VAL . 40.0 t -57.24 -23.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -65.97 -44.3 85.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.79 -16.75 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 70' ' ' LEU . 16.2 mt -73.33 -46.55 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.502 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -100.96 6.3 43.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 55.9 t0 61.64 79.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 73.76 44.49 31.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' CD2' HG12 ' A' ' 67' ' ' VAL . 40.0 tp -51.55 160.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 7.1 pt-20 -93.27 61.5 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' A' ' 64' ' ' VAL . 15.1 tp -108.71 160.5 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.79 155.21 38.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 66.9 m-80 -50.97 -31.31 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.01 -47.8 71.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.84 -43.94 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.413 ' CE1' HG11 ' A' ' 60' ' ' VAL . 14.1 m-30 -62.75 -13.32 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -45.52 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -115.81 84.79 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.551 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 58.0 p -74.8 -31.32 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.433 HG23 ' OD1' ' A' ' 49' ' ' ASP . 5.3 p -84.43 144.82 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.464 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 46.3 t80 -55.6 -58.35 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.52 -54.11 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -61.47 -50.27 73.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.438 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 82.1 t80 -54.06 -55.83 23.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 31.3 mm -42.86 -55.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -48.22 -50.92 27.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.64 -47.86 81.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 67' ' ' VAL . 2.6 tp -56.88 -62.72 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.454 HG22 ' OE1' ' A' ' 23' ' ' GLU . 70.6 t -39.78 -50.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -51.58 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 93' ' ' LEU . 12.2 mttp -60.83 -26.01 67.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.72 ' CD1' HG21 ' A' ' 26' ' ' THR . 8.7 mt -76.01 -50.35 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.5 mm? -60.77 178.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' ALA . 49.1 p -146.77 159.03 44.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.85 -29.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.45 -62.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 10.5 mm-40 -47.9 -47.03 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 24' ' ' LEU . 10.1 mt -46.85 -40.69 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 66.9 t -70.98 -32.76 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.696 HG21 HD13 ' A' ' 98' ' ' LEU . 1.1 m -74.24 -44.28 53.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.36 82.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.8 pt-20 -56.07 -35.24 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . -61.02 -38.99 88.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.671 HG21 HD22 ' A' ' 94' ' ' LEU . 40.6 t -67.08 -43.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 9.5 ttm180 -49.22 -41.98 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -58.99 -35.36 73.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.3 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.409 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 10.6 m0 -62.6 -53.49 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -54.47 -58.64 6.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -50.57 -48.18 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 mt -63.3 -74.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 18.9 mt -59.81 110.2 2.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -71.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 42' ' ' LEU . 10.2 mttm -40.14 -40.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 92.8 t -62.76 120.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.62 -33.21 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.24 141.03 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.475 HG22 HG21 ' A' ' 48' ' ' THR . 2.5 t -118.65 115.38 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.12 -171.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -75.51 -20.31 58.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.33 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.475 HG21 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.93 115.66 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.02 114.21 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.3 t80 -41.74 -28.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 21.4 m-85 -88.14 -67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -41.66 -29.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PHE . 4.8 p -62.61 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.65 40.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -92.01 130.14 37.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.01 -164.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -82.46 -8.75 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -92.12 -42.96 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -52.49 -37.73 57.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 64' ' ' VAL . 74.7 t -50.23 -46.52 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 65' ' ' GLU . 27.6 t -73.06 -35.07 47.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.0 tp -47.18 -46.69 23.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.957 HG13 HD23 ' A' ' 76' ' ' LEU . 66.6 t -66.51 -55.82 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.6 mm-40 -50.56 -39.43 49.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.46 -55.69 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.771 HG11 HD13 ' A' ' 94' ' ' LEU . 48.6 t -58.1 -20.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -66.0 -41.79 90.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.06 -17.83 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 70' ' ' LEU . 13.0 mt -70.18 -48.96 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 98' ' ' LEU . 1.2 t -103.85 5.76 36.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 53.9 t0 60.97 89.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.59 38.82 68.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.759 ' CD2' HG12 ' A' ' 67' ' ' VAL . 58.8 tp -50.21 135.03 21.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -69.68 62.22 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.957 HD23 HG13 ' A' ' 64' ' ' VAL . 9.3 tp -113.08 151.48 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -138.85 157.28 46.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -49.53 -33.21 14.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.9 90.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.52 ' OD1' HD11 ' A' ' 93' ' ' LEU . 57.6 m-20 -50.29 -42.29 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 87.9 t -65.22 -45.75 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.501 ' CE1' HG11 ' A' ' 60' ' ' VAL . 11.6 m-30 -62.77 -19.66 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.8 tpp -89.43 -44.3 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.79 91.5 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.522 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 97.9 p -78.29 -31.52 48.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -87.87 143.14 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 65.7 t80 -55.24 -51.03 67.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.49 -57.37 7.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -61.18 -46.43 90.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -55.2 -56.72 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.678 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 23.4 mm -40.8 -54.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -50.14 -52.78 32.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.52 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.63 -47.9 84.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.771 HD13 HG11 ' A' ' 67' ' ' VAL . 3.4 tp -56.21 -62.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 91' ' ' ILE . 77.2 t -42.22 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -51.46 -47.6 63.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.46 ' HE2' HD11 ' A' ' 93' ' ' LEU . 12.0 mttp -65.2 -24.76 67.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 26' ' ' THR . 31.5 mt -78.92 -52.05 8.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.4 mm? -60.66 167.13 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.778 ' C ' HD13 ' A' ' 24' ' ' LEU . 8.5 p -151.19 163.0 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -34.82 -40.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.74 -67.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 95' ' ' VAL . 5.5 mm-40 -48.85 -49.09 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 19' ' ' LEU . 7.3 mp -40.01 -53.27 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.73 -43.92 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.775 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.2 m -75.01 -42.53 57.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.39 -23.79 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.96 -38.33 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.559 HG21 HD22 ' A' ' 94' ' ' LEU . 18.9 t -65.24 -41.47 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 44' ' ' VAL . 7.8 ttp85 -55.96 -42.28 76.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -59.12 -34.47 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.2 t -60.46 -53.7 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -52.15 -60.51 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.75 ' OE1' HG12 ' A' ' 41' ' ' VAL . 18.5 mm100 -52.06 -51.08 59.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.59 -42.64 71.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.0 mt -72.1 -68.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.8 mt -67.16 112.34 9.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 -69.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' PRO . 2.0 mttt -38.82 -43.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.75 HG12 ' OE1' ' A' ' 35' ' ' GLN . 75.2 t -53.54 112.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.5 -33.09 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -144.3 153.38 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 2.2 t -115.11 127.42 72.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -130.6 -178.02 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.42 -23.41 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -29.08 32.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.402 HG21 HG22 ' A' ' 44' ' ' VAL . 3.0 m -54.21 119.89 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.574 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.9 OUTLIER -102.71 111.81 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -33.44 -39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 25.9 m-85 -76.85 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -38.83 -40.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.834 ' HB3' HD22 ' A' ' 38' ' ' LEU . 5.5 m -55.61 -71.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.48 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.25 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.13 -165.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -80.83 -12.87 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -88.66 -39.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -36.47 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.88 ' O ' HG23 ' A' ' 64' ' ' VAL . 53.3 t -51.8 -49.72 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.594 HG12 ' HG3' ' A' ' 65' ' ' GLU . 22.8 t -72.69 -35.32 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -55.83 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.404 HD12 HG23 ' A' ' 67' ' ' VAL . 3.7 tp -55.58 -49.91 71.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' VAL . 44.6 t -61.82 -43.82 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.594 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.7 mm-40 -63.98 -40.69 96.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' OE2' HG13 ' A' ' 33' ' ' VAL . 2.9 mt-10 -62.78 -56.45 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.656 HG12 ' CD2' ' A' ' 74' ' ' LEU . 81.2 t -59.71 -18.16 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HZ3' HG12 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -67.42 -46.61 72.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.41 -18.88 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.6 mt -67.93 -48.06 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -105.85 9.74 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 45.3 t0 61.35 86.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.06 43.08 91.61 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.656 ' CD2' HG12 ' A' ' 67' ' ' VAL . 50.7 tp -49.12 142.87 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -74.15 61.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.768 HD11 ' OD2' ' A' ' 80' ' ' ASP . 12.2 tp -110.19 150.61 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.7 pt-20 -138.22 150.92 47.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -44.07 -31.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.784 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -48.82 -46.81 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.731 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.5 t -63.38 -50.3 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.83 -26.86 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 15.2 tpt -83.02 -43.04 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.85 96.29 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HG ' ' CG ' ' A' ' 49' ' ' ASP . 96.6 p -83.42 -29.11 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.476 HG23 ' OD1' ' A' ' 49' ' ' ASP . 27.3 p -87.7 140.18 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 31' ' ' ARG . 40.1 t80 -50.76 -52.12 43.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.39 -58.13 6.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.38 -46.39 88.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.13 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 95' ' ' VAL . 18.9 mm -40.73 -51.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -49.77 -48.18 50.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.08 -47.42 80.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' N ' HD23 ' A' ' 93' ' ' LEU . 3.7 tp -57.08 -56.02 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.591 HG22 ' OE1' ' A' ' 23' ' ' GLU . 71.6 t -47.64 -43.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.57 -51.82 68.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HE3' HD12 ' A' ' 76' ' ' LEU . 53.2 mttm -62.19 -46.43 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.775 ' CD1' HG21 ' A' ' 26' ' ' THR . 40.8 mt -53.12 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.9 mm? -56.99 170.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.719 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.48 163.92 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -33.88 -46.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.46 -68.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.9 mt-10 -43.32 -51.27 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.5 mp -39.15 -56.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.76 -44.86 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.873 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -75.13 -39.97 60.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.407 ' HB2' HD12 ' A' ' 19' ' ' LEU . . . -64.89 -21.75 66.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.2 mm-40 -87.42 -35.63 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -64.94 -29.73 70.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.731 HG21 ' CD2' ' A' ' 94' ' ' LEU . 7.9 t -75.6 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.63 -38.16 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -63.81 -29.79 70.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.4 t -65.72 -51.9 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.55 ' CH2' ' CA ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.37 -60.51 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' A' ' 41' ' ' VAL . 6.6 mm100 -48.18 -58.57 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.97 -41.2 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.3 mt -71.85 -71.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.7 mt -64.39 111.95 6.68 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -40.06 -42.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG12 ' OE1' ' A' ' 35' ' ' GLN . 70.1 t -57.85 112.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.2 mt -85.84 -30.27 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 148.35 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.52 126.09 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.59 -174.43 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -75.75 -19.0 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -88.89 -15.05 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -66.71 116.7 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -90.31 113.42 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.427 ' CE2' HG11 ' A' ' 81' ' ' VAL . 31.7 t80 -38.59 -33.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.9 m-85 -84.67 -67.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PHE . 23.7 mtmt -39.63 -31.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.634 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.3 m -61.05 -72.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.38 41.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.89 134.5 40.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.17 -160.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.7 m -85.76 -9.36 57.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -93.05 -31.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.9 92.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 64' ' ' VAL . 43.8 t -47.0 -52.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.488 HG12 ' HG3' ' A' ' 65' ' ' GLU . 17.6 t -67.98 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -58.84 -56.79 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.4 tp -54.03 -51.15 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 60' ' ' VAL . 36.5 t -59.91 -43.26 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.5 mm-40 -62.8 -42.62 99.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HB2' HG11 ' A' ' 33' ' ' VAL . 1.7 mt-10 -62.05 -54.04 47.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.791 HG12 ' CD2' ' A' ' 74' ' ' LEU . 58.6 t -60.42 -22.47 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HD2' HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -64.63 -39.95 94.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.84 -19.4 60.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.4 mt -69.96 -49.09 55.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.436 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -99.42 -0.23 41.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.335 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.2 t70 62.37 80.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 82.98 38.83 10.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.791 ' CD2' HG12 ' A' ' 67' ' ' VAL . 59.9 tp -55.52 129.51 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.48 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.882 HD23 HG13 ' A' ' 64' ' ' VAL . 9.1 tp -117.32 143.75 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.69 168.88 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.453 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 5.6 m-20 -62.83 -36.22 82.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -59.52 -48.63 80.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' GLU . 46.6 m-20 -38.96 -33.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' A' ' 50' ' ' PHE . 31.7 t -73.01 -53.63 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 36.3 m-85 -56.07 -17.05 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -47.2 7.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.519 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -111.76 65.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.0 p -53.95 -40.84 67.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.51 HG23 ' OD1' ' A' ' 49' ' ' ASP . 5.0 p -79.17 136.3 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 91' ' ' ILE . 58.7 t80 -53.88 -46.87 71.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -50.0 -57.05 10.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -61.08 -45.36 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.519 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 72.9 t80 -53.75 -54.15 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 87' ' ' PHE . 23.7 mm -43.15 -59.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.437 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.2 mp0 -45.0 -49.58 11.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.5 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -61.83 -46.21 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.731 ' CD2' HG21 ' A' ' 30' ' ' VAL . 3.1 tp -59.75 -60.34 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 19' ' ' LEU . 81.8 t -44.47 -37.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -63.95 -49.47 72.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.466 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.5 mttp -64.75 -29.91 70.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.873 ' CD1' HG21 ' A' ' 26' ' ' THR . 14.6 mt -72.41 -53.56 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' CD1' HG21 ' A' ' 95' ' ' VAL . 2.8 mm? -64.74 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -145.99 165.1 29.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -34.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -61.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -45.09 -49.49 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.1 mt -42.28 -50.27 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.79 -50.39 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.717 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.9 m -58.21 -45.18 88.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -33.51 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -37.54 64.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -59.14 -37.96 78.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.642 HG21 HD22 ' A' ' 94' ' ' LEU . 24.4 t -72.13 -45.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.99 -40.62 61.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.31 -35.12 74.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.3 t -62.48 -44.52 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.2 m0 -59.2 -61.33 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -48.8 -50.08 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -56.57 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.431 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 10.8 mt -73.02 -71.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.854 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.9 mt -64.64 111.51 5.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -71.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.3 mmmt -39.44 -43.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 72.8 t -55.56 109.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -35.86 39.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -137.49 149.86 47.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 122.04 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -119.51 -175.86 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -74.62 -37.69 62.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 86' ' ' THR . 1.0 OUTLIER -43.35 128.67 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 86' ' ' THR . 0.4 OUTLIER -100.23 118.29 36.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 50.1 t80 -48.15 -22.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.2 m-85 -91.04 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -37.65 -42.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.854 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.6 m -47.27 -52.34 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 134.22 42.27 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -98.34 136.38 38.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.32 167.52 11.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -54.82 -15.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -75.6 -58.68 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.56 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -47.4 -32.69 5.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.76 ' O ' HG23 ' A' ' 64' ' ' VAL . 67.7 t -50.38 -45.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG22 ' OD1' ' A' ' 78' ' ' ASN . 19.1 t -73.87 -36.67 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -56.72 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 67' ' ' VAL . 4.1 tp -51.97 -55.81 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.839 HG13 HD23 ' A' ' 76' ' ' LEU . 45.2 t -56.02 -46.87 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.8 mm-40 -60.29 -39.89 88.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.56 -55.86 17.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.72 HG12 ' CD2' ' A' ' 74' ' ' LEU . 60.4 t -58.58 -20.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.38 -44.06 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -22.89 63.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.5 mt -66.22 -49.97 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.94 -0.79 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.4 t0 62.46 70.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 92.36 41.23 4.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.72 ' CD2' HG12 ' A' ' 67' ' ' VAL . 65.2 tp -56.24 131.43 47.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.95 59.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.839 HD23 HG13 ' A' ' 64' ' ' VAL . 12.5 tp -103.24 158.7 16.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.6 pt-20 -144.77 149.08 34.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.545 ' OD1' HG22 ' A' ' 61' ' ' VAL . 66.4 m-80 -44.81 -30.87 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.38 -43.63 98.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.625 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -48.23 -47.33 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.625 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.7 t -61.5 -51.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.511 ' CE1' HG11 ' A' ' 60' ' ' VAL . 13.6 m-30 -55.49 -27.87 51.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.99 -40.82 16.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.72 93.44 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.7 p -77.98 -55.85 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 49' ' ' ASP . 67.9 p -65.84 146.44 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.745 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 69.5 t80 -56.0 -53.14 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.34 -57.08 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.1 -56.1 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' ILE . 59.0 t80 -45.09 -59.67 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.745 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 30.0 mm -39.93 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.0 mp0 -46.63 -44.07 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -68.03 -45.99 72.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 30' ' ' VAL . 4.4 tp -59.84 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 19' ' ' LEU . 77.6 t -46.36 -41.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -59.64 -46.96 87.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.414 ' HE2' HD11 ' A' ' 93' ' ' LEU . 13.9 mttp -67.78 -36.26 80.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 26' ' ' THR . 15.7 mt -67.63 -50.39 58.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 87.9 mtt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.5 mm? -64.85 162.23 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.766 ' C ' HD13 ' A' ' 24' ' ' LEU . 31.0 p -152.58 162.94 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 tt0 -34.49 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -69.15 -70.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 3.9 mm-40 -53.13 -46.87 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 20' ' ' THR . 6.0 mp -40.56 -50.93 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 21' ' ' GLU . 24.2 t -51.15 -42.97 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.3 m -77.72 -42.11 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -62.78 -24.16 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 6.8 mm-40 -86.85 -37.58 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -68.85 -33.75 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 26' ' ' THR . 96.8 t -71.96 -42.18 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.582 ' HG3' ' CE2' ' A' ' 87' ' ' PHE . 7.9 ttm180 -54.16 -33.85 58.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.56 -29.25 62.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 29' ' ' ALA . 67.0 t -65.6 -47.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.504 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 10.8 m0 -59.16 -59.94 4.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . 5.5 mm-40 -49.72 -58.66 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -46.2 -48.67 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.93 -72.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.5 mt -61.82 110.75 3.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.98 -70.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' PRO . 7.6 mmpt? -38.61 -43.52 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 59.5 t -52.32 111.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -26.27 27.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -151.39 151.88 32.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG22 HG21 ' A' ' 48' ' ' THR . 2.2 t -114.45 110.46 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -96.43 -174.64 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.49 -19.97 48.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 25.1 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 48' ' ' THR . 0.7 OUTLIER -90.94 102.66 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.14 120.33 13.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 62.8 t80 -57.96 -17.67 18.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.8 m-30 -93.45 -66.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -39.82 -41.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.576 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.7 m -45.12 -72.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.29 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.449 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -94.98 137.93 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.01 -162.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -82.3 -15.04 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.17 -37.39 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.24 -37.93 70.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 64' ' ' VAL . 82.0 t -51.16 -52.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' A' ' 65' ' ' GLU . 25.2 t -68.65 -36.29 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -59.93 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.462 HD12 HG23 ' A' ' 67' ' ' VAL . 3.4 tp -51.2 -47.05 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 60' ' ' VAL . 45.9 t -63.04 -46.71 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.2 mm-40 -61.71 -44.24 97.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.93 -55.38 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 94' ' ' LEU . 51.2 t -57.52 -21.87 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.36 -44.55 78.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.34 -12.59 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.629 HD12 HG22 ' A' ' 30' ' ' VAL . 16.2 mt -77.25 -45.96 24.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -107.53 14.24 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 61.87 95.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 50.87 45.2 49.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.515 ' CD2' HG12 ' A' ' 67' ' ' VAL . 18.0 tp -47.02 155.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 36.9 mt-10 -86.31 61.03 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.695 ' HB3' HG13 ' A' ' 64' ' ' VAL . 7.4 tp -107.44 156.58 18.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.49 153.23 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -44.97 -34.42 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.4 -47.76 80.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.854 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -48.69 -48.08 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.729 HG23 ' OD1' ' A' ' 80' ' ' ASP . 61.6 t -62.03 -50.35 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -62.44 -14.39 40.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -44.35 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.25 81.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.1 p -66.05 -53.49 37.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 86' ' ' THR . 22.3 p -68.54 149.03 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 5.0 t80 -58.66 -57.71 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' ' NE2' ' A' ' 92' ' ' GLN . . . -40.21 -55.03 3.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.74 -47.84 81.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.426 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 68.0 t80 -54.47 -57.84 9.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.72 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 28.0 mm -41.39 -54.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.539 ' NE2' ' O ' ' A' ' 88' ' ' GLY . 1.9 mp0 -48.34 -50.65 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.07 -50.1 71.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 67' ' ' VAL . 1.4 tp -52.76 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.51 ' CG2' HD11 ' A' ' 19' ' ' LEU . 42.2 t -42.3 -53.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -48.26 -43.08 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HE3' HD12 ' A' ' 76' ' ' LEU . 46.8 mttm -68.61 -41.4 79.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.606 HD22 ' SG ' ' A' ' 71' ' ' CYS . 18.4 mt -54.87 -60.08 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -64.16 178.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 22' ' ' ALA . 30.6 p -142.01 158.84 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -28.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.26 -61.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' HB3' HD12 ' A' ' 19' ' ' LEU . 4.8 mm-40 -48.78 -45.63 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 24' ' ' LEU . 10.7 mt -47.98 -39.61 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 55.5 t -71.97 -33.16 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.786 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -72.92 -44.35 61.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.54 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 9.7 pt-20 -55.66 -34.91 65.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.08 -33.97 77.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG21 HD22 ' A' ' 94' ' ' LEU . 21.2 t -72.39 -42.21 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.01 -39.36 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -62.41 -31.87 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 29' ' ' ALA . 42.3 t -63.08 -46.59 95.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.503 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.6 m0 -61.53 -58.2 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.612 HE22 ' HA ' ' A' ' 43' ' ' GLU . 6.3 mm100 -49.58 -56.22 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -51.53 -45.29 62.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 21.6 mt -69.18 -71.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 53' ' ' SER . 17.5 mt -58.53 110.05 2.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -40.16 -42.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 98.9 t -58.96 115.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -27.03 21.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.612 ' HA ' HE22 ' A' ' 35' ' ' GLN . 5.9 pt-20 -146.26 141.54 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.55 134.61 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -125.67 -178.96 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.53 4.66 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -111.55 -16.9 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' THR . 0.9 OUTLIER -67.47 157.15 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.543 ' OD2' HG23 ' A' ' 86' ' ' THR . 0.2 OUTLIER -116.19 124.0 49.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 75.3 t80 -55.23 -20.91 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.9 m-85 -92.9 -67.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 1.4 mptp? -41.43 -39.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.669 ' HB3' HD22 ' A' ' 38' ' ' LEU . 10.4 m -48.55 -51.44 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.46 42.15 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.1 166.76 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -53.85 -16.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -74.89 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.866 ' O ' HG23 ' A' ' 64' ' ' VAL . 75.8 t -48.97 -45.49 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 ' OD1' ' A' ' 78' ' ' ASN . 22.7 t -73.82 -36.67 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -51.5 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 HG23 ' A' ' 67' ' ' VAL . 5.5 tp -56.82 -51.03 70.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 60' ' ' VAL . 36.2 t -59.86 -40.71 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.94 -38.33 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.01 -54.7 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.777 HG12 ' CD2' ' A' ' 74' ' ' LEU . 58.7 t -59.88 -21.54 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.581 ' NZ ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -63.58 -42.07 98.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -24.89 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.9 mt -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.8 t -95.91 -2.55 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' LYS . 20.4 t70 61.66 68.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 98.14 40.73 3.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.777 ' CD2' HG12 ' A' ' 67' ' ' VAL . 53.5 tp -58.37 138.46 56.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -77.46 56.84 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.737 HD23 HG13 ' A' ' 64' ' ' VAL . 9.3 tp -103.31 154.44 19.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -141.27 147.58 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' HG22 ' A' ' 61' ' ' VAL . 68.3 m-20 -41.42 -32.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -59.33 -48.57 81.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.685 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.09 -48.13 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.685 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.8 t -60.53 -49.0 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CE1' HG11 ' A' ' 60' ' ' VAL . 16.1 m-30 -60.51 -17.41 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -46.14 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 83.77 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 89.7 p -69.56 -38.69 77.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.543 HG23 ' OD2' ' A' ' 49' ' ' ASP . 1.9 p -80.63 141.75 34.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 74.3 t80 -56.04 -50.88 69.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.405 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -47.92 -52.97 15.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -40.05 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.58 -53.48 57.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.6 mm -44.34 -56.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.6 mp0 -47.85 -48.6 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.4 -45.05 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.707 HD22 HG21 ' A' ' 30' ' ' VAL . 3.4 tp -60.2 -59.04 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.0 t -47.26 -36.5 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -47.76 76.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 10.0 mttm -66.67 -31.9 72.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.786 ' CD1' HG21 ' A' ' 26' ' ' THR . 31.4 mt -71.26 -53.5 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 72.8 mtt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.753 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.5 mm? -63.37 163.44 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.781 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.6 p -153.58 164.95 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -35.2 -39.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.97 -72.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -51.77 -47.84 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 20' ' ' THR . 5.9 mp -40.21 -51.61 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' GLU . 27.6 t -50.85 -42.35 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.895 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.1 m -78.46 -42.76 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -61.87 -26.23 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.2 mm-40 -82.9 -37.7 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.32 85.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.495 HG22 HD12 ' A' ' 70' ' ' LEU . 39.5 t -63.56 -40.99 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -39.83 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -62.25 -32.52 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.69 -50.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.56 -45.23 85.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.6 mm100 -61.53 -57.73 10.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -53.0 -43.35 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.01 HD13 ' OD1' ' A' ' 59' ' ' ASP . 25.3 mt -64.52 -70.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.775 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.2 mt -68.89 113.24 14.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -40.17 -41.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.5 109.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.36 -32.09 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.16 138.59 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -112.81 123.46 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -120.56 -171.69 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -78.4 -19.15 53.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -88.8 -15.03 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 133.29 54.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.59 122.41 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 23.4 t80 -45.03 -36.46 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' LYS . 26.6 m-85 -83.06 -65.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PHE . 21.5 mttt -39.12 -33.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.775 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.9 m -62.91 -74.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' N ' HD22 ' A' ' 38' ' ' LEU . . . 166.41 40.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -87.75 139.58 30.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.46 -174.49 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -71.17 -17.09 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -90.72 -33.29 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 1.01 ' OD1' HD13 ' A' ' 37' ' ' ILE . 50.1 t0 -59.31 -36.33 75.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.875 ' O ' HG23 ' A' ' 64' ' ' VAL . 64.2 t -52.06 -51.68 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.702 HG12 ' HG3' ' A' ' 65' ' ' GLU . 39.8 t -68.81 -33.48 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -61.76 -56.95 14.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD12 HG23 ' A' ' 67' ' ' VAL . 3.3 tp -56.35 -49.69 73.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 60' ' ' VAL . 38.5 t -61.34 -40.73 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.702 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.5 mm-40 -67.93 -40.46 83.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.44 -56.43 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.597 HG12 ' CD2' ' A' ' 74' ' ' LEU . 89.6 t -59.27 -17.6 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -68.14 -48.96 63.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -17.92 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.495 HD12 HG22 ' A' ' 30' ' ' VAL . 13.3 mt -68.53 -47.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.0 t -104.53 9.87 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' LYS . 28.6 t0 62.24 81.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.4 44.96 57.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD2' HG12 ' A' ' 67' ' ' VAL . 44.7 tp -50.15 149.96 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.06 60.21 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 HG13 ' A' ' 64' ' ' VAL . 9.2 tp -109.01 147.16 32.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.25 156.58 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.98 -32.67 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -50.57 73.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.733 ' OD1' HD11 ' A' ' 93' ' ' LEU . 61.0 m-20 -45.63 -51.67 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' CG2' ' A' ' 64' ' ' VAL . 59.6 t -55.92 -46.23 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -65.63 -27.57 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.82 -38.59 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 89' ' ' ASP . . . -127.05 92.67 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -77.46 -31.83 54.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.5 p -86.26 147.38 26.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' HE1' HG12 ' A' ' 30' ' ' VAL . 26.0 t80 -57.26 -56.61 19.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.75 -59.66 2.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.425 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 7.8 t0 -58.58 -50.38 74.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -52.19 -61.65 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.434 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.4 mm -40.07 -54.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -48.95 -47.71 43.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.733 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.04 -45.78 87.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.485 HD13 HG11 ' A' ' 67' ' ' VAL . 3.2 tp -59.23 -57.77 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.558 HG21 HD11 ' A' ' 19' ' ' LEU . 76.5 t -46.51 -35.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -50.48 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HE3' HD11 ' A' ' 93' ' ' LEU . 14.2 mttm -63.92 -33.76 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.895 ' CD1' HG21 ' A' ' 26' ' ' THR . 41.9 mt -67.65 -58.89 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -41.87 143.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -132.23 157.75 43.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.93 140.3 11.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t 54.34 101.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.66 160.59 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.95 68.24 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -105.54 131.67 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -169.75 132.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -40.51 139.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.55 99.68 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.38 107.34 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.48 82.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -132.03 178.32 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 16' ' ' VAL . 66.4 m 62.77 111.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 15' ' ' SER . 48.4 t 59.24 152.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.84 HD22 ' NH1' ' A' ' 99' ' ' ARG . 24.5 mt -87.88 158.01 18.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 42.0 mt-10 -104.87 117.12 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 95' ' ' VAL . 3.4 mm? -61.28 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 17.2 p -148.91 162.55 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.18 -32.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.49 -61.04 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HB3' HD12 ' A' ' 19' ' ' LEU . 6.4 mt-10 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 24' ' ' LEU . 11.6 mt -49.73 -49.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.97 -50.25 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.819 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -56.8 -45.07 82.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.15 66.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -32.18 56.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.63 89.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.775 HG21 ' CD2' ' A' ' 94' ' ' LEU . 10.6 t -66.49 -38.06 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -56.63 -43.18 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -57.29 -34.91 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.66 -54.76 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -54.42 -58.57 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -48.62 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -47.37 -47.15 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 mt -65.29 -73.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.2 mt -61.26 110.93 3.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -40.02 -42.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -55.52 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -28.77 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.92 148.0 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.47 109.68 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 175.93 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -4.06 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -108.06 -7.06 16.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.66 122.25 22.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.615 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.2 OUTLIER -88.15 126.86 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 67.6 t80 -57.86 -21.34 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.1 m-85 -92.05 -66.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -40.64 -46.89 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.664 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.9 m -39.62 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.34 40.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -96.38 146.47 24.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.34 -163.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 p -81.56 -7.05 59.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.6 -41.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -34.68 60.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.882 ' O ' HG23 ' A' ' 64' ' ' VAL . 76.8 t -53.24 -49.3 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' HG3' ' A' ' 65' ' ' GLU . 21.8 t -72.04 -36.6 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -53.29 59.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.3 tp -57.59 -47.08 83.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 60' ' ' VAL . 48.2 t -63.82 -41.99 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' HG3' HG12 ' A' ' 61' ' ' VAL . 3.8 mm-40 -66.39 -42.7 87.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.42 -56.13 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.783 HG12 ' CD2' ' A' ' 74' ' ' LEU . 66.9 t -58.36 -23.29 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -64.02 -41.8 97.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.92 -22.44 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.2 mt -67.48 -49.27 64.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.9 t -95.02 -1.92 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . 19.0 t0 61.98 68.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.33 40.81 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.783 ' CD2' HG12 ' A' ' 67' ' ' VAL . 46.4 tp -58.04 130.48 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -72.5 63.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD23 HG13 ' A' ' 64' ' ' VAL . 14.5 tp -107.11 160.58 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -146.98 152.07 38.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 9.2 m-20 -44.22 -34.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -48.94 76.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.68 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -45.61 -48.18 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.68 HG23 ' OD1' ' A' ' 80' ' ' ASP . 48.3 t -61.88 -48.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.713 ' CE1' HG11 ' A' ' 60' ' ' VAL . 7.8 m-30 -62.36 -17.42 58.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -45.62 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.11 85.42 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 92.3 p -73.08 -38.96 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.615 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.0 p -79.03 146.65 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 78.1 t80 -59.51 -54.49 46.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -43.4 -56.5 4.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.5 -54.39 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.418 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 60.6 t80 -45.84 -55.44 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.5 mm -43.32 -58.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.411 ' N ' ' OE1' ' A' ' 92' ' ' GLN . 1.3 mp0 -45.46 -47.31 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.96 -48.15 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.775 ' CD2' HG21 ' A' ' 30' ' ' VAL . 4.0 tp -57.62 -60.66 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.546 HG12 ' NE ' ' A' ' 99' ' ' ARG . 60.0 t -45.09 -39.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -60.6 -45.2 94.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -69.37 -33.45 73.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.819 ' CD1' HG21 ' A' ' 26' ' ' THR . 10.9 mt -68.18 -57.31 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.84 ' NH1' HD22 ' A' ' 17' ' ' LEU . 22.1 mtt180 -45.87 -51.53 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.0 -69.28 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 t0 61.84 169.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 67.56 128.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.72 165.17 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.01 96.27 6.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.9 t -48.02 132.98 15.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.32 -144.57 12.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.56 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.11 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 t -58.09 -57.66 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.01 144.7 31.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 m -113.66 111.04 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.93 159.06 8.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -91.5 149.24 21.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.75 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -79.11 100.38 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 59.56 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.05 -53.53 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -94.3 145.12 24.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mttm 63.19 148.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . 165.6 -65.66 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . 67.32 97.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.27 63.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.95 146.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p 56.03 167.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.955 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG23 ' NE2' ' A' ' 92' ' ' GLN . 2.2 p -129.58 132.61 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.843 HD22 ' NH1' ' A' ' 99' ' ' ARG . 11.4 mt -75.79 169.84 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.0 tt0 -111.24 119.54 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.5 mm? -60.57 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 12.1 p -147.39 168.69 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.44 -38.66 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HB3' HD12 ' A' ' 19' ' ' LEU . 10.3 mt-10 -43.34 -50.11 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -43.03 -52.71 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.28 -50.09 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.757 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.07 72.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.05 -32.33 61.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.31 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.634 HG21 HD22 ' A' ' 94' ' ' LEU . 13.1 t -75.01 -42.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.2 ttm180 -54.33 -39.27 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -60.57 -31.65 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' OE2' ' A' ' 66' ' ' GLU . 42.2 t -63.81 -57.68 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 11.9 m0 -49.43 -51.43 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -50.53 -62.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -51.37 -49.38 61.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.919 HD13 ' OD1' ' A' ' 59' ' ' ASP . 19.9 mt -60.47 -74.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.866 HD22 ' HB3' ' A' ' 53' ' ' SER . 16.4 mt -60.87 111.08 3.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 -72.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 3.3 mmtt -39.72 -42.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 90.7 t -59.45 115.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -38.44 14.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -130.62 139.37 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 48' ' ' THR . 2.7 t -116.71 119.57 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.02 -171.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.19 -16.41 57.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.9 t -99.55 -3.42 33.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.606 HG21 HG22 ' A' ' 44' ' ' VAL . 1.3 m -64.41 149.49 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -109.24 153.74 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 19.6 t80 -87.75 -63.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.54 -58.27 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -44.3 -54.93 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.866 ' HB3' HD22 ' A' ' 38' ' ' LEU . 2.2 m -42.58 -69.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.79 40.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -92.35 132.91 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.06 -178.45 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -67.95 -18.55 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.952 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 m -86.62 -37.94 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.919 ' OD1' HD13 ' A' ' 37' ' ' ILE . 51.0 t0 -53.78 -41.65 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 64' ' ' VAL . 85.7 t -48.18 -50.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.416 HG12 ' HG3' ' A' ' 65' ' ' GLU . 21.8 t -68.68 -35.51 70.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -62.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 67' ' ' VAL . 3.9 tp -49.27 -49.04 45.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 60' ' ' VAL . 53.3 t -60.84 -44.32 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.9 mm-40 -63.84 -41.9 97.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.531 ' OE2' HG13 ' A' ' 33' ' ' VAL . 3.3 mt-10 -61.87 -56.89 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.781 HG12 ' CD2' ' A' ' 74' ' ' LEU . 80.2 t -58.22 -22.47 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -63.87 -41.63 97.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.1 -23.7 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 15.2 mt -64.6 -50.48 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 3.1 t -95.7 -1.52 49.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 22.3 t70 61.65 69.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.77 40.52 3.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.781 ' CD2' HG12 ' A' ' 67' ' ' VAL . 62.2 tp -57.68 133.07 55.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.35 61.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.648 HD23 HG13 ' A' ' 64' ' ' VAL . 13.4 tp -105.34 151.92 23.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.15 151.28 46.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 56.4 m-80 -46.29 -31.63 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -50.82 72.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.499 ' OD1' HD11 ' A' ' 93' ' ' LEU . 53.4 m-20 -49.05 -46.13 43.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 64' ' ' VAL . 55.6 t -61.7 -44.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 19.4 m-30 -65.27 -13.39 58.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -45.43 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.13 84.46 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -72.49 -28.02 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.966 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -92.35 142.36 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 54.5 t80 -55.68 -59.49 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' PHE . . . -36.22 -60.64 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -58.25 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -41.64 -55.14 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.612 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 23.0 mm -43.13 -55.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.667 ' NE2' HG23 ' A' ' 16' ' ' VAL . 4.8 mm100 -49.36 -48.45 46.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.7 -45.84 88.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.634 HD22 HG21 ' A' ' 30' ' ' VAL . 4.1 tp -58.33 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.92 -41.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG3' HD11 ' A' ' 17' ' ' LEU . 3.7 mtt180 -59.82 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HE3' HD11 ' A' ' 93' ' ' LEU . 11.0 mttm -64.6 -36.84 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.757 ' CD1' HG21 ' A' ' 26' ' ' THR . 16.1 mt -65.82 -56.09 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.843 ' NH1' HD22 ' A' ' 17' ' ' LEU . 24.5 mtt180 -46.19 -51.62 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.92 70.16 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t0 60.83 161.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.97 136.58 35.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 103.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.63 158.31 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.1 135.46 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.28 38.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 58.06 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.94 174.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.3 t -160.35 -61.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -177.0 118.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.785 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -175.92 124.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.88 107.05 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -117.56 155.89 29.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -52.62 -71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.2 135.32 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 4.2 p90 -72.13 143.75 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.86 125.34 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt 40.34 -159.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.96 -103.64 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.58 151.0 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.53 -61.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m 61.06 121.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.72 150.74 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.807 HD22 HH12 ' A' ' 99' ' ' ARG . 55.1 mt -101.34 143.29 31.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.7 mt-10 -86.03 114.71 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.603 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.7 mm? -68.01 178.95 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' HD12 ' A' ' 24' ' ' LEU . 58.2 p -131.51 -159.08 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.54 -39.87 62.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.72 -58.17 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.603 ' HB3' HD12 ' A' ' 19' ' ' LEU . 13.6 mm-40 -43.52 -52.12 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 20' ' ' THR . 14.7 mt -42.23 -53.41 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.68 -47.21 79.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.646 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.0 m -60.15 -45.91 91.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.25 -36.28 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -37.22 67.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.76 91.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG12 ' HE1' ' A' ' 87' ' ' PHE . 42.8 t -63.16 -46.08 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -50.58 -40.47 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 t -61.64 -34.21 75.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 66' ' ' GLU . 45.7 t -61.58 -47.65 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.5 m0 -58.21 -58.91 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.468 HE22 ' HA ' ' A' ' 43' ' ' GLU . 6.4 mm100 -50.45 -57.5 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -46.69 -46.52 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.8 -71.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.807 HD22 ' HB3' ' A' ' 53' ' ' SER . 15.1 mt -60.77 110.76 3.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -40.48 -42.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 53.6 t -55.69 113.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.12 -32.59 18.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HA ' HE22 ' A' ' 35' ' ' GLN . 1.6 mt-10 -138.96 147.79 42.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.85 114.11 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -111.07 -177.23 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.52 2.04 27.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -114.25 -4.16 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.0 118.95 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -87.14 118.03 26.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CE2' ' HB1' ' A' ' 55' ' ' ALA . 20.5 t80 -41.11 -41.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.3 m-85 -75.61 -63.31 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -39.21 -32.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.807 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.6 m -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.4 42.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -91.59 127.5 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.55 -165.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -83.2 -12.58 56.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -92.73 -36.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.6 -37.12 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.907 ' O ' HG23 ' A' ' 64' ' ' VAL . 87.8 t -49.74 -50.71 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.8 t -69.64 -39.61 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -54.12 -57.05 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD12 HG23 ' A' ' 67' ' ' VAL . 5.6 tp -54.01 -47.92 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 60' ' ' VAL . 37.5 t -61.4 -39.2 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.81 -42.55 77.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.6 mt-10 -61.19 -56.91 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.783 HG12 ' CD2' ' A' ' 74' ' ' LEU . 94.5 t -57.5 -23.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -20.55 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 30' ' ' VAL . 16.4 mt -69.14 -49.02 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -98.39 -0.36 43.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.8 t70 62.0 77.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 85.23 40.29 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.783 ' CD2' HG12 ' A' ' 67' ' ' VAL . 61.7 tp -56.78 133.83 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.04 60.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.71 HD11 HD21 ' A' ' 93' ' ' LEU . 8.9 tp -106.99 146.19 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -123.91 145.44 49.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' HA ' HG21 ' A' ' 64' ' ' VAL . 13.0 m-20 -41.15 -39.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -55.3 -49.34 72.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.635 ' OD2' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -37.92 -35.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.624 ' HB ' HG13 ' A' ' 60' ' ' VAL . 61.1 t -72.82 -57.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.714 ' CE1' HG11 ' A' ' 60' ' ' VAL . 66.8 m-85 -57.25 -15.54 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -43.85 10.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 89' ' ' ASP . . . -121.41 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' OG ' ' OD2' ' A' ' 49' ' ' ASP . 85.4 p -59.02 -36.31 74.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.665 HG23 ' OD1' ' A' ' 49' ' ' ASP . 3.8 p -79.79 140.82 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 39.6 t80 -57.51 -54.12 50.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.01 -58.83 3.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 0.4 OUTLIER -61.23 -51.09 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -47.46 -48.55 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.529 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 31.8 mm -53.14 -50.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -50.93 -45.32 60.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.71 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -67.2 -47.02 72.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.566 HD13 HG11 ' A' ' 67' ' ' VAL . 5.5 tp -58.46 -60.0 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.544 HG12 ' HD2' ' A' ' 99' ' ' ARG . 56.4 t -46.43 -38.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.45 -45.47 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 8.4 mttm -69.75 -34.06 73.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.646 ' CD1' HG21 ' A' ' 26' ' ' THR . 14.0 mt -68.2 -53.96 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.807 HH12 HD22 ' A' ' 17' ' ' LEU . 26.6 mtt180 -50.19 -50.31 49.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.1 95.99 0.58 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -126.21 130.32 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.51 106.2 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.29 119.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.45 -63.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.0 p -87.24 133.04 33.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.69 -174.88 15.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.05 42.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -60.95 151.26 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t 70.57 -65.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -165.0 141.95 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p 58.96 113.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.63 165.19 40.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.15 160.57 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.035 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -151.89 85.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.94 117.24 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.155 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -91.86 143.9 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -90.04 -53.87 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 104.42 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.02 154.12 40.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.2 -60.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.8 171.33 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.32 129.43 15.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.693 ' O ' HG12 ' A' ' 16' ' ' VAL . 52.9 p -125.77 103.52 7.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 15' ' ' SER . 10.6 p 49.87 173.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD11 ' HG3' ' A' ' 96' ' ' ARG . 51.5 mt -131.43 146.48 52.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 32.7 mt-10 -94.91 116.06 28.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.9 mm? -58.22 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.1 p -140.92 -162.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.82 -39.97 83.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . -86.07 -61.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.51 ' HB3' HD12 ' A' ' 19' ' ' LEU . 7.4 mt-10 -38.3 -49.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.2 mt -48.15 -54.67 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -51.98 -50.38 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.794 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.7 m -59.62 -47.2 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.09 -35.05 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -34.01 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG12 ' HE1' ' A' ' 87' ' ' PHE . 43.4 t -64.53 -46.92 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -48.23 -40.59 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -60.83 -34.83 75.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.41 HG13 ' CD ' ' A' ' 66' ' ' GLU . 46.8 t -60.07 -57.67 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.494 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.8 m0 -48.29 -57.26 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.061 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 41' ' ' VAL . 6.2 mm100 -52.72 -59.31 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -42.76 14.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.8 mt -71.78 -71.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.5 mt -64.9 112.22 7.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.98 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.419 1.747 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 4.9 mtmt -40.05 -42.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -56.02 112.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.3 mp -90.23 -34.38 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.1 tt0 -133.19 138.61 46.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 t -113.82 108.98 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -111.01 179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.63 -9.41 58.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -97.62 -15.37 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.21 121.55 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.65 120.24 33.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 19.8 t80 -44.22 -30.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.8 m-85 -86.01 -65.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -40.35 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.715 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.6 m -63.48 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.5 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -93.68 130.84 39.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.25 -162.96 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -84.61 -10.22 57.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -91.09 -39.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -34.94 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 64' ' ' VAL . 80.6 t -53.51 -50.0 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.561 HG22 ' OD1' ' A' ' 78' ' ' ASN . 39.8 t -71.13 -33.52 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.03 -60.61 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.3 tp -49.54 -45.62 47.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 60' ' ' VAL . 48.4 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.13 -41.3 99.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' CD ' HG13 ' A' ' 33' ' ' VAL . 3.2 mt-10 -61.75 -57.25 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.77 HG12 ' CD2' ' A' ' 74' ' ' LEU . 81.9 t -57.9 -22.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -63.74 -43.62 95.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -23.85 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 30' ' ' VAL . 16.2 mt -65.47 -49.99 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.67 -0.69 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . 11.5 t70 61.62 70.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.11 40.91 4.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.77 ' CD2' HG12 ' A' ' 67' ' ' VAL . 56.3 tp -56.47 141.57 42.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -80.46 59.65 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.788 ' HB3' HG13 ' A' ' 64' ' ' VAL . 7.3 tp -105.62 148.58 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 152.96 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.561 ' OD1' HG22 ' A' ' 61' ' ' VAL . 58.1 m-80 -45.44 -31.14 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -50.95 71.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.778 ' OD1' HD11 ' A' ' 93' ' ' LEU . 60.7 m-20 -45.44 -50.16 12.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 46.8 t -57.44 -43.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.739 ' CE1' HG11 ' A' ' 60' ' ' VAL . 11.9 m-30 -68.54 -28.35 66.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.7 mmt -76.53 -45.34 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -120.35 88.54 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.411 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 97.1 p -73.18 -31.97 64.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.0 p -88.22 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 33.6 t80 -48.68 -48.02 40.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.547 ' O ' ' NE2' ' A' ' 92' ' ' GLN . . . -48.12 -64.5 3.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.529 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 5.8 t0 -54.69 -45.55 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.549 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 71.1 t80 -55.52 -60.59 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.643 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 29.3 mm -41.35 -55.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.547 ' NE2' ' O ' ' A' ' 88' ' ' GLY . 1.2 mp0 -47.89 -44.49 29.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.778 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -67.88 -46.27 72.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 98' ' ' LEU . 4.4 tp -59.03 -58.13 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.43 HG21 HD11 ' A' ' 19' ' ' LEU . 65.1 t -46.75 -34.27 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.686 ' HG3' HD11 ' A' ' 17' ' ' LEU . 1.1 mtt-85 -67.35 -47.09 71.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HE3' HD11 ' A' ' 93' ' ' LEU . 8.2 mttm -69.3 -36.03 76.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.794 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.8 mt -66.39 -49.38 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 80.9 mtt180 -60.58 -45.53 93.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.41 121.15 2.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -165.37 146.04 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.98 116.23 31.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -81.57 -10.76 59.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.47 146.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.54 142.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.95 148.53 20.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.24 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.08 121.21 39.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.03 139.13 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.78 65.02 0.25 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -127.37 163.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -126.55 156.59 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.48 -158.43 34.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 52.16 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 53.88 169.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.17 71.33 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.19 155.9 22.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.48 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.57 172.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.62 148.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.21 167.69 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.54 HG23 ' CG ' ' A' ' 92' ' ' GLN . 2.5 p -131.69 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 49.4 mt -87.92 146.24 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.4 tt0 -96.97 120.01 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -52.35 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 61.8 p -147.86 -171.79 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.94 -35.47 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 -59.34 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 7.4 mt-10 -41.8 -47.02 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.65 -58.02 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -51.51 -48.41 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.803 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -59.01 -42.08 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.74 84.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -32.87 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.46 -44.67 86.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.62 HG21 ' CD2' ' A' ' 94' ' ' LEU . 17.3 t -66.84 -41.76 88.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -58.38 -36.61 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -63.83 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.757 HG13 ' OE2' ' A' ' 66' ' ' GLU . 46.0 t -65.82 -45.88 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.533 ' HE1' HD11 ' A' ' 63' ' ' LEU . 12.2 m0 -58.35 -56.67 19.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -46.25 -58.35 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -52.74 -43.9 66.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 58.7 mt -64.73 -72.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 53' ' ' SER . 13.0 mt -65.82 112.67 9.39 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -41.44 -41.75 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.432 HG21 HD13 ' A' ' 38' ' ' LEU . 76.2 t -59.05 117.68 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 -27.07 18.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.98 147.01 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.2 t -112.16 105.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -173.77 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.49 -19.18 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -93.87 -8.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.42 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.51 116.18 23.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CE1' HD22 ' A' ' 63' ' ' LEU . 44.1 t80 -45.25 -28.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 17.2 m-85 -87.12 -66.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PHE . 28.7 mttt -38.97 -39.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.845 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.2 m -51.3 -72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.63 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.02 -166.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -77.65 -13.34 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.54 -40.0 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.8 m-20 -52.95 -34.44 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.886 ' O ' HG23 ' A' ' 64' ' ' VAL . 63.1 t -61.72 -54.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG22 ' OD1' ' A' ' 78' ' ' ASN . 11.6 t -69.49 -38.31 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.08 -39.46 94.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.533 HD11 ' HE1' ' A' ' 34' ' ' TRP . 12.7 tp -68.78 -51.1 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.959 HG13 HD23 ' A' ' 76' ' ' LEU . 30.7 t -60.63 -37.41 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -37.63 82.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.757 ' OE2' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -65.36 -56.17 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.789 HG12 ' CD2' ' A' ' 74' ' ' LEU . 57.8 t -57.48 -22.71 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' NZ ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.7 -25.15 61.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.57 -50.7 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.5 t -94.37 -3.59 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.3 t0 61.4 66.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 101.8 39.13 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.789 ' CD2' HG12 ' A' ' 67' ' ' VAL . 54.8 tp -58.31 138.77 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.43 58.75 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.959 HD23 HG13 ' A' ' 64' ' ' VAL . 10.9 tp -105.51 157.86 17.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.54 157.38 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.526 ' OD1' HG22 ' A' ' 61' ' ' VAL . 68.6 m-20 -51.35 -32.39 25.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.2 -47.77 82.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -46.95 -45.22 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.42 -48.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -60.25 -14.3 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.04 -44.42 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.14 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.4 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 90.1 p -74.34 -41.21 61.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 p -75.51 147.0 40.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.654 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 61.8 t80 -59.38 -47.26 86.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' O ' ' NE2' ' A' ' 92' ' ' GLN . . . -51.87 -50.37 44.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.87 -58.61 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.654 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 25.4 mm -42.31 -54.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.54 ' CG ' HG23 ' A' ' 16' ' ' VAL . 1.1 mp0 -49.37 -45.57 46.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.522 HD11 ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -66.55 -47.28 73.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.62 ' CD2' HG21 ' A' ' 30' ' ' VAL . 6.4 tp -58.01 -60.62 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.66 -35.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 2.2 mtt85 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.522 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.2 mttp -68.48 -35.55 77.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.803 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.9 mt -67.49 -51.06 55.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 74.1 mtt180 -55.5 -48.14 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.81 129.19 4.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 179.62 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -173.83 167.65 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.16 74.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.238 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -126.81 176.48 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 m 61.46 143.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -176.57 -84.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.67 13.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.3 m 56.72 -178.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.02 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.054 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -95.32 111.61 23.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -79.35 -58.87 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.29 -94.81 0.89 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.411 1.069 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 109.63 20.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -177.73 -58.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.07 -160.15 28.19 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -107.17 142.61 36.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.22 -56.85 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -141.48 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.84 -72.52 0.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.79 126.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.04 166.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 m -50.91 -58.49 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.87 168.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.61 148.03 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.713 HD22 ' NH1' ' A' ' 99' ' ' ARG . 52.5 mt -91.94 140.77 29.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 10.3 pt-20 -99.51 124.58 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.2 mm? -60.07 -177.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ALA . 29.2 p -143.86 158.93 43.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.34 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.93 -61.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.505 ' OE1' HG22 ' A' ' 95' ' ' VAL . 11.9 mm-40 -50.24 -48.81 54.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 24' ' ' LEU . 8.9 mt -40.69 -44.5 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.08 -45.31 87.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.693 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -61.32 -44.41 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.27 -34.37 70.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.05 -32.06 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.29 87.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 94' ' ' LEU . 23.1 t -60.63 -41.59 88.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -52.48 -42.91 64.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -57.92 -34.73 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 66' ' ' GLU . 40.8 t -61.81 -57.19 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.2 m0 -52.95 -55.34 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.612 HE22 ' HA ' ' A' ' 43' ' ' GLU . 7.4 mm100 -51.06 -61.48 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -47.23 -34.63 6.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.939 HD13 ' OD1' ' A' ' 59' ' ' ASP . 50.9 mt -78.21 -76.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 53' ' ' SER . 41.0 mt -51.6 104.71 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -72.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -40.7 -33.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 64.3 t -68.42 136.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -97.51 -46.17 6.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.612 ' HA ' HE22 ' A' ' 35' ' ' GLN . 2.4 tt0 -135.43 143.24 45.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -102.24 118.13 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 0.8 OUTLIER -104.74 -176.44 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 110.334 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.9 -18.94 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 -3.19 45.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.408 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -71.93 132.4 44.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.368 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.7 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.04 121.8 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 54.2 t80 -49.28 -35.81 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.6 m-85 -81.3 -67.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 19.5 mtmt -41.05 -38.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.731 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.7 m -52.99 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.74 41.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -91.39 134.47 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.6 -177.59 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 p -67.73 -17.07 64.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -90.38 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.939 ' OD1' HD13 ' A' ' 37' ' ' ILE . 47.8 t0 -54.71 -39.38 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 64' ' ' VAL . 78.3 t -48.24 -51.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' HG3' ' A' ' 65' ' ' GLU . 13.1 t -68.71 -42.19 82.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -54.3 -50.98 66.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.72 -56.71 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.895 HG13 HD23 ' A' ' 76' ' ' LEU . 21.7 t -56.08 -51.13 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.1 mm-40 -54.93 -49.51 71.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.2 mm-40 -51.6 -59.2 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.781 HG12 HD23 ' A' ' 74' ' ' LEU . 89.2 t -50.37 -45.9 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -40.34 -36.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.34 -44.41 45.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' VAL . 19.6 mt -49.32 -52.18 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.509 ' HB3' ' CB ' ' A' ' 74' ' ' LEU . 19.8 t -85.43 -26.81 26.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 18.8 t70 63.22 54.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.82 37.02 0.49 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.781 HD23 HG12 ' A' ' 67' ' ' VAL . 1.8 tp -90.01 164.0 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.734 ' H ' HD12 ' A' ' 74' ' ' LEU . 16.9 pt-20 -108.8 115.23 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.895 HD23 HG13 ' A' ' 64' ' ' VAL . 9.9 tp -154.26 141.34 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -126.43 155.07 42.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 67.4 m-80 -48.92 -32.48 9.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -44.77 87.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 76' ' ' LEU . 82.3 m-20 -55.01 -40.02 69.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.09 -40.88 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.694 ' CE1' HG11 ' A' ' 60' ' ' VAL . 12.1 m-30 -68.12 -16.55 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.5 tpt -92.57 -47.78 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.85 83.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 62.5 p -72.93 -31.51 64.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.7 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -84.41 142.46 30.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 91' ' ' ILE . 69.9 t80 -54.65 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -37.64 -56.04 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.43 -53.38 58.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -47.93 -58.96 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 87' ' ' PHE . 25.3 mm -40.67 -55.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -48.66 -47.59 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -65.45 -46.55 79.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 30' ' ' VAL . 3.8 tp -58.78 -58.52 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.505 HG22 ' OE1' ' A' ' 23' ' ' GLU . 70.7 t -46.49 -41.84 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.414 ' HE ' HD11 ' A' ' 17' ' ' LEU . 4.0 mtt180 -60.87 -41.1 95.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.437 ' HE2' HD11 ' A' ' 93' ' ' LEU . 13.8 mttp -69.84 -39.6 76.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.693 ' CD1' HG21 ' A' ' 26' ' ' THR . 19.5 mt -63.67 -61.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.713 ' NH1' HD22 ' A' ' 17' ' ' LEU . 94.4 mtt180 -44.67 -41.95 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.54 -133.13 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t0 45.63 42.06 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -147.19 94.08 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.68 170.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -112.82 173.06 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -134.2 -174.52 13.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 148.26 35.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.55 169.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.8 p -59.04 154.12 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -59.78 99.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 51.83 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.73 76.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -96.68 91.95 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -82.69 -1.67 51.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.04 129.53 5.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -63.35 148.42 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.93 -54.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 -64.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.06 -112.14 2.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.45 154.35 50.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.89 86.18 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t 62.67 121.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -134.12 149.15 51.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.734 HG23 ' NE2' ' A' ' 92' ' ' GLN . 2.8 p -133.3 139.83 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.703 HD22 ' NH1' ' A' ' 99' ' ' ARG . 9.4 mt -91.71 170.63 9.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.41 124.21 47.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.5 mm? -60.83 179.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -135.62 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -40.03 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.65 -59.6 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.6 mt-10 -39.62 -52.12 2.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 24' ' ' LEU . 14.1 mt -44.73 -55.53 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -50.99 -47.5 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.713 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.4 m -62.34 -44.54 96.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.82 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -38.1 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 70' ' ' LEU . 41.2 t -65.19 -46.1 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -48.8 -38.11 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -63.39 -31.85 73.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.627 HG13 ' OE2' ' A' ' 66' ' ' GLU . 46.2 t -62.57 -46.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.5 m0 -60.91 -57.58 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 42' ' ' LEU . 5.6 mm100 -51.13 -55.86 15.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -53.42 -34.81 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 52.5 mt -75.35 -64.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' ' 53' ' ' SER . 5.9 mt -75.86 113.82 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -41.47 -40.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 83.6 t -59.51 118.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.1 mt -92.09 -25.07 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -143.02 148.85 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.6 t -122.33 81.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -177.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.13 -6.74 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -9.45 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.411 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -65.64 121.81 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.496 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -84.01 129.76 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.519 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 49.9 t80 -66.76 -18.83 65.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.8 m-85 -93.2 -65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PHE . 6.4 mptt -40.04 -44.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.847 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.7 m -42.94 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.05 40.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -88.81 144.5 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.44 -167.93 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -73.37 -20.58 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.23 -35.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.496 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.9 m-20 -56.88 -34.05 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.769 ' O ' HG23 ' A' ' 64' ' ' VAL . 72.0 t -62.48 -55.85 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 12.8 t -68.1 -37.57 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD22 ' CE1' ' A' ' 50' ' ' PHE . 11.0 tp -65.04 -57.13 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.91 HG13 HD23 ' A' ' 76' ' ' LEU . 23.7 t -55.35 -40.28 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.3 mm-40 -63.5 -40.68 97.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.627 ' OE2' HG13 ' A' ' 33' ' ' VAL . 1.5 mt-10 -64.22 -56.08 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.78 HG12 ' CD2' ' A' ' 74' ' ' LEU . 54.4 t -58.59 -22.75 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD2' HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -63.78 -42.86 97.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.7 -24.49 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.587 HD12 HG22 ' A' ' 30' ' ' VAL . 13.7 mt -64.88 -50.22 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 t -94.39 -1.0 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.1 t0 61.05 68.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 97.88 40.09 3.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.78 ' CD2' HG12 ' A' ' 67' ' ' VAL . 36.8 tp -57.35 138.03 55.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 59.61 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.91 HD23 HG13 ' A' ' 64' ' ' VAL . 11.2 tp -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.44 154.88 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -45.23 -33.57 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -48.64 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -48.47 -44.97 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.428 HG21 ' CG2' ' A' ' 64' ' ' VAL . 48.9 t -63.64 -46.49 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE1' HG11 ' A' ' 60' ' ' VAL . 17.5 m-30 -60.95 -13.31 15.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.34 91.65 3.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.543 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 79.5 p -79.13 -37.2 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.496 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -81.81 132.75 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 29.3 t80 -43.83 -59.81 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.31 -55.8 2.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -61.08 -51.27 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 83.0 t80 -51.56 -60.94 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.9 mm -40.03 -54.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.734 ' NE2' HG23 ' A' ' 16' ' ' VAL . 52.0 mm-40 -48.32 -49.4 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.612 HD21 ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -62.6 -47.9 81.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 67' ' ' VAL . 4.1 tp -55.78 -58.12 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 19' ' ' LEU . 69.2 t -45.39 -50.07 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.41 ' HG3' HD11 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -51.2 -43.51 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 11.5 mttm -72.14 -50.97 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.713 ' CD1' HG21 ' A' ' 26' ' ' THR . 12.4 mt -51.88 -44.38 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.703 ' NH1' HD22 ' A' ' 17' ' ' LEU . 34.4 mtt180 -59.62 -47.82 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.7 98.54 0.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -172.52 34.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.59 160.14 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.95 148.99 25.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.22 85.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.5 p -126.14 100.46 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 -171.82 44.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t 59.47 170.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.3 t -168.55 118.33 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -132.33 94.78 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.0 -58.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.79 155.61 17.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -164.83 -57.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m 43.96 76.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 93.92 0.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.108 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.82 162.49 13.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 54.89 168.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -52.95 149.61 6.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.85 141.01 33.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.35 74.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.79 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.1 173.15 7.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 m -166.32 135.48 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.689 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -105.32 138.77 40.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 15' ' ' SER . 8.7 p 50.33 173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.742 HD22 HH12 ' A' ' 99' ' ' ARG . 20.9 mt -98.76 129.87 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -92.69 121.24 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.9 mm? -70.94 176.21 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -131.19 -168.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.86 -37.27 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.74 -65.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.721 ' HB3' HD12 ' A' ' 19' ' ' LEU . 7.7 mt-10 -38.71 -53.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' GLU . 18.3 mt -40.15 -50.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.37 -45.6 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.772 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -64.26 -44.83 90.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.93 68.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.7 -34.04 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 94' ' ' LEU . 18.1 t -64.02 -45.95 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -48.32 -44.05 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -55.29 -36.28 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.86 -53.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.481 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.35 -54.57 34.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -55.13 -57.31 12.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -47.53 33.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.93 HG21 ' OD1' ' A' ' 59' ' ' ASP . 58.1 mt -66.98 -71.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 53' ' ' SER . 14.2 mt -58.02 109.65 1.96 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.97 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -39.43 -42.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 73.5 t -56.73 105.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.91 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -150.56 142.27 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 45' ' ' GLU . 2.2 t -105.63 160.58 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 7.4 pt-20 -152.41 -174.16 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -81.83 -19.03 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 -5.47 48.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -71.33 130.85 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' OD2' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.88 114.08 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 32.2 t80 -40.85 -36.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.5 m-85 -81.03 -67.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -41.79 -33.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.776 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.7 m -60.59 -73.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.01 41.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -93.37 134.33 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.33 -169.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.2 p -73.41 -19.32 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 m -88.77 -37.01 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.93 ' OD1' HG21 ' A' ' 37' ' ' ILE . 52.7 t0 -55.17 -39.79 69.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.879 ' O ' HG23 ' A' ' 64' ' ' VAL . 78.0 t -51.39 -53.04 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.19 -37.51 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -65.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.9 tp -47.12 -44.84 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 60' ' ' VAL . 61.8 t -64.5 -45.81 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.18 -41.23 99.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.95 -55.83 19.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.643 HG12 ' CD2' ' A' ' 74' ' ' LEU . 68.8 t -58.36 -20.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -65.88 -45.74 80.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.26 -22.13 65.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 70' ' ' LEU . 13.1 mt -66.38 -49.28 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.6 t -98.49 3.03 48.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 7.4 t70 62.33 75.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 83.77 42.21 7.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.643 ' CD2' HG12 ' A' ' 67' ' ' VAL . 60.6 tp -53.46 142.06 23.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -78.73 60.02 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.824 ' HB3' HG13 ' A' ' 64' ' ' VAL . 11.5 tp -103.5 163.43 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.77 162.77 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -55.75 -36.88 67.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.63 -41.78 97.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 76' ' ' LEU . 99.1 m-20 -58.05 -38.54 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG21 ' CG2' ' A' ' 64' ' ' VAL . 71.3 t -71.89 -51.83 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -55.94 -17.11 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -44.3 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.449 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.58 90.96 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 77.1 p -79.31 -32.56 43.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.502 HG23 ' OD2' ' A' ' 49' ' ' ASP . 2.4 p -84.16 141.35 31.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 91' ' ' ILE . 63.3 t80 -50.25 -60.45 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -60.42 2.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.83 -55.2 32.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.449 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 79.6 t80 -50.34 -55.41 15.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 87' ' ' PHE . 27.8 mm -44.92 -51.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -49.08 -49.39 41.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 30' ' ' VAL . 3.0 tp -57.37 -59.87 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 19' ' ' LEU . 78.5 t -45.67 -48.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.05 -47.02 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.36 -43.93 76.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.772 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.5 mt -58.11 -46.44 85.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.742 HH12 HD22 ' A' ' 17' ' ' LEU . 57.5 mtt180 -59.95 -47.63 85.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 171.82 -125.19 1.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.12 41.85 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -157.5 68.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.58 -14.6 19.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.04 -66.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 t -55.12 -58.04 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.04 31.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.72 87.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.5 m 65.32 139.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -100.09 168.7 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t 64.06 128.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.029 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.55 -126.37 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -152.46 157.64 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -95.4 91.22 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.08 -93.82 0.59 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -172.99 134.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -97.35 168.16 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 138.16 58.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.95 76.51 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.2 171.4 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 0.72 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.49 159.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t 53.72 86.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -143.6 147.72 34.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.023 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.562 HG13 ' CG ' ' A' ' 92' ' ' GLN . 29.8 t 59.89 149.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD22 ' NH1' ' A' ' 99' ' ' ARG . 65.1 mt -98.31 138.22 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 11.5 pt-20 -88.57 120.3 29.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.1 mm? -56.01 175.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.5 p -134.84 -158.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.39 -39.56 62.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 -59.37 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.63 ' OE2' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -42.87 -53.5 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.6 mt -39.95 -52.86 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.33 -48.11 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -60.28 -45.91 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.22 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -37.16 69.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.57 89.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG21 HD22 ' A' ' 94' ' ' LEU . 22.5 t -60.42 -44.04 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.78 -41.28 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -59.0 -35.01 72.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.72 -50.81 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 m0 -57.99 -58.9 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -49.55 -51.52 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 34.2 mt -62.97 -72.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.876 HD22 ' HB3' ' A' ' 53' ' ' SER . 20.8 mt -57.84 110.05 2.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -72.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 43.6 mttm -40.26 -41.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 68.9 t -59.39 115.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -29.3 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.3 tt0 -137.4 139.25 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 48' ' ' THR . 2.4 t -114.07 112.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -112.28 -172.88 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.55 -18.66 58.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.19 -7.27 45.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 44' ' ' VAL . 1.2 m -73.94 123.61 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.488 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -96.23 123.35 39.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 35.2 t80 -54.02 -30.79 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.3 m-30 -82.88 -63.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -44.17 -39.52 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.876 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.8 m -50.83 -39.98 54.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 124.99 40.91 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -95.38 130.58 42.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.6 164.76 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 p -53.02 -16.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.561 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -75.12 -59.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.561 ' N ' HG12 ' A' ' 58' ' ' VAL . 2.3 m-20 -47.09 -34.28 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 64' ' ' VAL . 55.9 t -49.33 -46.27 18.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 65' ' ' GLU . 14.4 t -72.87 -37.81 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 2.6 ttt85 -59.38 -56.99 15.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.544 HD12 HG23 ' A' ' 67' ' ' VAL . 4.8 tp -53.73 -55.18 28.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 60' ' ' VAL . 55.4 t -55.17 -40.08 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.58 -39.44 80.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 62' ' ' ARG . 2.2 mt-10 -64.45 -56.81 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.799 HG12 ' CD2' ' A' ' 74' ' ' LEU . 49.3 t -57.4 -21.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.12 -41.43 94.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.59 -22.38 61.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 30' ' ' VAL . 15.7 mt -66.45 -50.14 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.9 t -95.85 -1.52 49.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.5 t70 61.85 69.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.36 39.52 4.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.799 ' CD2' HG12 ' A' ' 67' ' ' VAL . 56.2 tp -57.1 130.55 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.56 59.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.683 ' HB3' HG13 ' A' ' 64' ' ' VAL . 9.4 tp -103.3 158.7 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -147.37 152.61 38.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -46.85 -30.31 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -37.1 85.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.685 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -55.98 -47.6 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.685 HG23 ' OD1' ' A' ' 80' ' ' ASP . 48.2 t -62.45 -46.45 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CE1' HG11 ' A' ' 60' ' ' VAL . 8.8 m-30 -60.93 -20.44 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -46.63 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -119.55 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 32.4 p -75.81 -34.21 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' OD1' ' A' ' 49' ' ' ASP . 16.7 p -85.4 144.98 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 50.6 t80 -53.4 -62.87 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' A' ' 92' ' ' GLN . . . -38.69 -52.85 2.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -64.34 -47.95 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.437 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 70.3 t80 -54.58 -55.26 31.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.562 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 29.4 mm -44.1 -58.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.562 ' CG ' HG13 ' A' ' 16' ' ' VAL . 1.1 mp0 -45.81 -45.18 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -66.6 -46.33 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.52 HD13 HG11 ' A' ' 67' ' ' VAL . 3.7 tp -59.09 -59.12 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 74.4 t -44.83 -38.91 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -62.26 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.0 mttp -64.42 -38.14 89.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.63 HD12 ' OE2' ' A' ' 23' ' ' GLU . 14.8 mt -62.29 -54.79 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.637 ' NH1' HD22 ' A' ' 17' ' ' LEU . 89.2 mtt180 -57.16 -45.99 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 151.42 129.3 1.54 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -166.38 164.88 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 67.23 118.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.88 164.58 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.68 161.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 p -79.97 155.04 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.68 -145.08 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 m 49.78 87.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t 179.76 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -160.29 -58.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.08 170.21 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.162 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -138.37 113.27 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 p 179.96 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.91 101.78 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 27.2 p90 -108.29 127.92 54.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -119.94 -56.05 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 159.81 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.47 -100.6 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.08 169.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.35 161.99 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.45 132.07 2.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.701 ' O ' HG12 ' A' ' 16' ' ' VAL . 93.7 p -136.43 166.09 24.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.701 HG12 ' O ' ' A' ' 15' ' ' SER . 8.4 p 50.21 173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.793 HD22 ' NH1' ' A' ' 99' ' ' ARG . 36.9 mt -102.07 137.49 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.2 mt-10 -90.41 117.97 29.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.5 mm? -57.28 -178.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 22' ' ' ALA . 59.9 p -148.72 163.55 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -48.02 -22.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 20' ' ' THR . . . -88.68 -64.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.0 mm-40 -53.31 -46.18 69.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.8 mt -42.56 -41.7 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.3 -45.29 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.81 HG21 HD11 ' A' ' 98' ' ' LEU . 12.5 m -62.71 -48.46 79.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.43 -34.29 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.23 -39.35 48.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.69 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.691 HG22 HD12 ' A' ' 70' ' ' LEU . 49.2 t -66.39 -40.12 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -54.69 -36.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -65.86 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.459 HG13 ' OE1' ' A' ' 66' ' ' GLU . 46.8 t -63.51 -46.22 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 12.5 m0 -62.12 -56.29 20.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.028 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -53.06 -59.34 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -49.12 -43.5 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.413 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 19.4 mt -69.84 -71.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 53' ' ' SER . 14.1 mt -61.45 110.89 3.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -71.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 8.6 mttm -39.36 -43.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 67.3 t -54.73 113.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -30.36 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -146.61 151.41 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.437 HG22 HG21 ' A' ' 48' ' ' THR . 2.2 t -115.67 127.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -172.53 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -78.04 -20.8 51.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -13.03 38.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.437 HG21 HG22 ' A' ' 44' ' ' VAL . 1.3 m -65.59 128.33 35.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 t70 -105.15 120.54 41.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 33.9 t80 -45.67 -30.23 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 26.1 m-85 -85.99 -62.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 1.3 mmtt -40.57 -33.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.82 ' HB3' HD22 ' A' ' 38' ' ' LEU . 9.0 m -60.99 -49.01 79.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 130.29 41.71 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -95.11 130.69 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 58' ' ' VAL . . . -89.04 164.72 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.2 m -52.9 -16.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -73.9 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.584 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -48.97 -33.15 10.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 64' ' ' VAL . 75.9 t -49.9 -44.03 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.572 HG22 ' OD1' ' A' ' 78' ' ' ASN . 18.0 t -75.02 -36.22 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -58.79 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.43 HD12 HG23 ' A' ' 67' ' ' VAL . 3.8 tp -51.48 -49.82 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 60' ' ' VAL . 54.6 t -59.91 -42.9 90.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.01 -41.03 91.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' OE1' HG13 ' A' ' 33' ' ' VAL . 1.2 mm-40 -62.23 -56.79 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' A' ' 74' ' ' LEU . 87.4 t -57.43 -22.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -64.91 -44.15 90.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.08 -20.97 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 30' ' ' VAL . 13.4 mt -68.74 -47.89 65.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.3 t -98.86 1.95 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . 14.1 t0 61.25 73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 87.58 41.68 6.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.729 ' CD2' HG12 ' A' ' 67' ' ' VAL . 58.9 tp -54.58 143.35 24.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.7 60.93 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 64' ' ' VAL . 12.3 tp -108.15 160.97 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.51 152.31 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.572 ' OD1' HG22 ' A' ' 61' ' ' VAL . 66.9 m-80 -48.1 -32.05 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.53 -42.82 99.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.429 ' OD2' HD12 ' A' ' 76' ' ' LEU . 64.4 m-20 -53.18 -45.56 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 85.8 t -61.98 -42.75 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 60' ' ' VAL . 19.7 m-30 -66.19 -18.08 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.79 -44.42 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -116.69 86.37 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.5 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 60.8 p -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 48' ' ' THR . 18.1 p -82.25 143.99 30.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 12.7 t80 -53.94 -58.54 6.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.82 -55.81 2.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -49.49 74.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.444 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 77.7 t80 -52.7 -58.83 5.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.456 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 18.6 mm -42.83 -52.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -48.98 -48.77 42.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -63.0 -48.77 77.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 93' ' ' LEU . 4.4 tp -54.76 -59.46 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG1' ' NE ' ' A' ' 99' ' ' ARG . 52.5 t -45.57 -50.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 3.8 mtt-85 -51.87 -50.61 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' HE3' HD12 ' A' ' 76' ' ' LEU . 49.5 mttm -62.68 -44.01 97.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 26' ' ' THR . 8.2 mt -54.55 -58.42 7.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.793 ' NH1' HD22 ' A' ' 17' ' ' LEU . 26.5 mtt180 -50.66 -48.84 58.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.56 74.8 0.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 t0 59.24 167.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -133.57 102.2 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.96 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -122.66 73.48 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.66 98.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.38 -151.58 14.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.08 19.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.7 m -148.78 160.54 43.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.0 t -170.65 116.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -164.19 151.73 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.055 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.77 160.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.94 -179.79 36.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t 55.49 88.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 -54.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.57 -119.68 0.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 8' ' ' PHE . 5.0 p90 -135.37 128.69 32.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.88 161.77 30.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.6 mttt 67.43 122.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.84 160.9 18.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.82 89.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 0.718 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.89 110.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 146.98 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.19 139.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.8 t -126.35 136.56 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.701 HD22 ' NH1' ' A' ' 99' ' ' ARG . 26.5 mt -63.95 137.39 57.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 4.0 tt0 -88.4 121.99 31.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 95' ' ' VAL . 3.5 mm? -66.48 -176.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.2 p -145.98 165.07 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.26 -37.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.63 -62.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB3' HD12 ' A' ' 19' ' ' LEU . 4.6 mt-10 -42.7 -48.07 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -47.33 -51.54 19.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.36 -50.98 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.849 HG21 HD13 ' A' ' 98' ' ' LEU . 5.4 m -58.17 -45.46 87.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.67 75.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.75 -32.99 70.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.44 -31.92 73.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.613 HG21 HD22 ' A' ' 94' ' ' LEU . 13.9 t -73.89 -40.95 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.8 ttm180 -53.05 -39.99 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.04 -44.35 97.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' A' ' 66' ' ' GLU . 30.5 t -55.85 -33.16 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 87' ' ' PHE . 10.9 m0 -74.87 -43.17 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.51 -57.83 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CG ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.69 -25.43 27.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 32.8 mt -87.45 -38.59 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -104.38 104.68 46.01 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.445 ' C ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -65.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -39.6 -30.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' C ' ' A' ' 39' ' ' PRO . 72.9 t -73.31 107.94 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -35.73 62.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.61 146.81 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.84 150.3 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 -177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.19 2.06 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -106.81 -18.67 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.22 134.68 49.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.5 OUTLIER -101.07 120.83 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.406 ' CE2' ' HB1' ' A' ' 55' ' ' ALA . 13.8 t80 -37.95 -46.54 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 32.4 m-85 -71.82 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 mmpt? -40.17 -43.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.584 ' CB ' HD13 ' A' ' 38' ' ' LEU . 1.2 m -55.18 -63.47 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.86 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -92.54 121.97 34.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.21 -166.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 p -81.28 -10.65 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.27 -37.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -39.6 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 64' ' ' VAL . 85.4 t -49.33 -52.45 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.75 -38.08 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.28 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 67' ' ' VAL . 6.6 tp -52.38 -46.42 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 60' ' ' VAL . 92.8 t -61.89 -35.69 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.63 -46.69 36.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.631 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.2 mt-10 -54.44 -58.48 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.712 HG12 ' CD2' ' A' ' 74' ' ' LEU . 92.9 t -53.16 -35.61 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.14 -35.08 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.81 -32.17 52.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 70' ' ' LEU . 19.6 mt -56.14 -45.1 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.529 ' HB2' HD21 ' A' ' 98' ' ' LEU . 3.5 t -100.32 -13.37 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.3 t70 61.59 61.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.18 33.38 1.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.712 ' CD2' HG12 ' A' ' 67' ' ' VAL . 55.9 tp -62.28 150.78 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' H ' HD12 ' A' ' 74' ' ' LEU . 33.1 mt-10 -96.16 69.37 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 64' ' ' VAL . 16.1 tp -111.28 160.34 17.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.9 pt-20 -144.62 146.82 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -47.18 -33.59 5.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' CD ' ' CD ' ' A' ' 77' ' ' GLU . 3.8 pt-20 -62.01 -38.97 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 77' ' ' GLU . 69.8 m-20 -56.15 -44.25 79.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.38 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -64.96 -14.9 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -45.07 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -114.63 83.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.495 ' HG ' ' CG ' ' A' ' 49' ' ' ASP . 60.9 p -73.32 -31.76 64.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.665 HG23 ' OD1' ' A' ' 49' ' ' ASP . 3.2 p -85.08 130.4 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 86.5 t80 -46.39 -54.97 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.37 -61.18 2.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -57.51 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 78.3 t80 -41.48 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.2 mm -42.49 -57.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.17 -48.59 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 30' ' ' VAL . 1.4 tp -57.61 -57.37 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 19' ' ' LEU . 78.5 t -45.18 -41.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.444 ' HG3' HD11 ' A' ' 17' ' ' LEU . 1.2 mtt85 -59.96 -50.56 73.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -62.84 -46.39 88.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.849 HD13 HG21 ' A' ' 26' ' ' THR . 17.5 mt -57.39 -55.68 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.701 ' NH1' HD22 ' A' ' 17' ' ' LEU . 88.0 mtt180 -48.8 -50.27 35.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.09 118.12 2.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -174.32 166.23 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.4 t70 61.84 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 165.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 137.26 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.9 m -130.92 136.77 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.72 120.39 22.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.34 6.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -109.9 116.32 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 110.009 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.9 167.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -83.67 166.74 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 120.97 32.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.03 157.75 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -135.11 146.63 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 96.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.61 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -93.32 157.82 16.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -91.24 -53.01 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -166.87 157.97 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.26 153.38 6.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.99 152.84 49.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.84 110.36 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.25 158.0 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -54.72 142.2 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.536 HG13 ' CG ' ' A' ' 92' ' ' GLN . 87.1 t -129.42 143.93 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 96' ' ' ARG . 41.7 mt -96.75 135.2 39.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.54 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.8 mm? -55.77 169.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.721 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.24 164.38 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -34.31 -46.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.45 -68.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' THR . 3.4 mt-10 -43.96 -51.52 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.6 mp -40.01 -55.32 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 21' ' ' GLU . 76.5 t -46.35 -43.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.94 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.8 m -76.5 -42.24 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.06 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.7 mm-40 -85.64 -38.18 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -62.71 -38.93 92.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG12 ' HE1' ' A' ' 87' ' ' PHE . 52.9 t -67.56 -43.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -53.75 -38.99 64.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 t -64.61 -31.95 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 29' ' ' ALA . 47.2 t -62.61 -46.7 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -62.99 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.02 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 42' ' ' LEU . 5.1 mm100 -52.68 -57.28 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -50.03 -44.83 51.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.45 -72.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 53' ' ' SER . 7.4 mt -64.91 112.25 7.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.41 -42.65 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 35' ' ' GLN . 71.3 t -57.59 114.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.3 mp -92.12 -32.98 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.2 tt0 -136.14 140.43 43.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 48' ' ' THR . 2.5 t -114.12 106.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -99.8 -172.12 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -12.46 59.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -101.25 -2.97 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.517 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -73.81 116.09 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.44 124.02 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.9 t80 -52.67 -22.77 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 29.2 m-85 -91.81 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PHE . 15.2 mtmt -39.35 -34.11 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.859 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.2 m -58.48 -70.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 42.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -94.75 130.53 41.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.05 -163.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.4 -15.66 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -85.74 -36.62 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -34.5 67.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.88 ' O ' HG23 ' A' ' 64' ' ' VAL . 88.4 t -54.03 -50.96 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' A' ' 65' ' ' GLU . 24.8 t -70.13 -35.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -57.63 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.63 -50.01 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' VAL . 43.2 t -61.58 -47.07 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.612 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.8 mm-40 -60.79 -40.8 93.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.06 -57.28 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.776 HG12 ' CD2' ' A' ' 74' ' ' LEU . 67.3 t -59.14 -22.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -63.29 -42.15 99.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.51 -25.59 63.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 34.9 mt -61.95 -51.27 68.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.444 ' HB2' HD21 ' A' ' 98' ' ' LEU . 3.8 t -95.13 -3.16 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.9 t0 62.27 67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 100.43 39.59 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.776 ' CD2' HG12 ' A' ' 67' ' ' VAL . 57.7 tp -57.68 138.8 55.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.81 63.18 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.788 HD23 HG13 ' A' ' 64' ' ' VAL . 9.9 tp -109.69 149.6 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -137.23 153.96 50.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 44.4 m-80 -47.32 -31.28 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -48.45 -51.27 27.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG21 ' CG2' ' A' ' 64' ' ' VAL . 57.5 t -55.99 -43.99 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 17.8 m-30 -67.83 -24.46 65.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mmt -84.37 -42.83 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.94 84.11 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 80.9 p -72.51 -35.28 68.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 48' ' ' THR . 14.6 p -82.96 144.13 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.71 ' HE1' HG12 ' A' ' 30' ' ' VAL . 19.7 t80 -57.02 -55.34 35.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.37 -58.22 3.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -59.81 -51.54 69.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -50.15 -59.33 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 25.1 mm -40.26 -56.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.536 ' CG ' HG13 ' A' ' 16' ' ' VAL . 1.2 mp0 -47.07 -49.87 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -62.1 -46.7 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.587 HD13 HG11 ' A' ' 67' ' ' VAL . 2.8 tp -58.18 -59.67 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 19' ' ' LEU . 71.2 t -44.44 -41.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.554 ' HG3' HD12 ' A' ' 17' ' ' LEU . 17.7 mtt-85 -61.78 -52.71 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -60.62 -44.92 95.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.94 ' CD1' HG21 ' A' ' 26' ' ' THR . 15.9 mt -59.35 -54.64 44.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -54.01 -47.85 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.92 103.87 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.09 164.59 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.1 144.61 49.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.98 147.13 39.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -135.38 158.27 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -46.8 136.25 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.054 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.58 -158.98 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 134.77 18.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t -176.54 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.9 123.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 p -178.87 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -124.13 87.35 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.09 101.27 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.28 81.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -74.51 167.35 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.95 114.67 1.66 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 54.82 171.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -94.25 103.53 15.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -136.14 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.61 -98.48 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.74 111.56 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.67 175.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 p -102.69 72.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m 63.9 109.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.51 138.53 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' HG3' ' A' ' 96' ' ' ARG . 19.9 mt -89.03 127.45 35.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 10.0 pt-20 -92.36 116.06 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.757 ' HB3' HD12 ' A' ' 24' ' ' LEU . 3.0 mm? -52.48 166.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.752 ' C ' HD13 ' A' ' 24' ' ' LEU . 7.1 p -151.3 161.92 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -33.95 -42.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -70.48 -67.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' OE2' HD12 ' A' ' 98' ' ' LEU . 5.5 mm-40 -48.21 -49.77 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.9 mp -40.27 -53.38 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 21' ' ' GLU . 54.7 t -48.64 -43.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.72 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.4 m -75.9 -41.27 52.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.11 -21.17 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mm-40 -88.03 -36.9 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.11 -37.79 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 HG22 ' A' ' 67' ' ' VAL . 15.0 t -67.14 -40.84 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -55.11 -43.12 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -59.04 -35.68 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.7 t -59.9 -50.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.506 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.8 m0 -56.32 -60.01 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.433 ' OE1' HG12 ' A' ' 41' ' ' VAL . 6.5 mm100 -52.3 -57.71 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -40.3 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.408 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 68.4 mt -76.64 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 53' ' ' SER . 19.6 mt -61.13 111.13 3.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -41.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.433 HG12 ' OE1' ' A' ' 35' ' ' GLN . 75.9 t -59.28 115.61 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -27.14 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -140.82 139.19 34.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -112.62 114.0 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 11.4 pm0 -103.04 -177.17 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.2 -19.1 54.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.8 t -97.81 -0.83 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.406 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -75.89 121.41 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.499 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -88.98 125.81 35.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 39.5 t80 -54.81 -35.73 64.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.9 m-85 -76.7 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -41.85 -46.88 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.758 ' HB3' HD22 ' A' ' 38' ' ' LEU . 20.9 m -44.34 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.1 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.99 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.46 -163.95 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 p -81.2 -13.58 58.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -88.69 -42.27 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.1 m-20 -51.17 -44.18 61.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.874 ' O ' HG23 ' A' ' 64' ' ' VAL . 55.5 t -46.06 -51.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 t -66.75 -39.18 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -64.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 34' ' ' TRP . 3.3 tp -47.02 -46.96 22.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 60' ' ' VAL . 58.2 t -63.12 -49.06 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 2.1 mm-40 -58.64 -45.77 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.88 -55.58 32.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.643 HG22 HG22 ' A' ' 30' ' ' VAL . 40.0 t -57.24 -23.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -65.97 -44.3 85.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.79 -16.75 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 70' ' ' LEU . 16.2 mt -73.33 -46.55 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.502 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -100.96 6.3 43.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 55.9 t0 61.64 79.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 73.76 44.49 31.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.571 ' CD2' HG12 ' A' ' 67' ' ' VAL . 40.0 tp -51.55 160.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 7.1 pt-20 -93.27 61.5 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' A' ' 64' ' ' VAL . 15.1 tp -108.71 160.5 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.79 155.21 38.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 66.9 m-80 -50.97 -31.31 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.01 -47.8 71.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.84 -43.94 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.413 ' CE1' HG11 ' A' ' 60' ' ' VAL . 14.1 m-30 -62.75 -13.32 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -45.52 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -115.81 84.79 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.551 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 58.0 p -74.8 -31.32 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.433 HG23 ' OD1' ' A' ' 49' ' ' ASP . 5.3 p -84.43 144.82 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.464 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 46.3 t80 -55.6 -58.35 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.52 -54.11 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -61.47 -50.27 73.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.438 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 82.1 t80 -54.06 -55.83 23.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 31.3 mm -42.86 -55.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -48.22 -50.92 27.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.64 -47.86 81.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 67' ' ' VAL . 2.6 tp -56.88 -62.72 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG22 ' OE1' ' A' ' 23' ' ' GLU . 70.6 t -39.78 -50.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -51.53 -51.58 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 93' ' ' LEU . 12.2 mttp -60.83 -26.01 67.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.72 ' CD1' HG21 ' A' ' 26' ' ' THR . 8.7 mt -76.01 -50.35 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -49.4 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.61 -108.21 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 102' ' ' ASP . 48.8 t0 -167.63 124.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 101' ' ' ASP . 1.0 OUTLIER 43.54 91.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.23 141.15 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -128.21 -44.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m 72.32 102.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.42 21.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.5 m -101.74 -53.91 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 m 40.84 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -131.32 95.52 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -123.42 154.72 38.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -143.2 15.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -154.93 114.69 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.944 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.17 101.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 108.33 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 48.64 93.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -148.58 116.72 6.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -152.37 -63.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.01 -151.88 8.43 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.26 74.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.78 68.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.06 85.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -176.47 147.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.59 141.22 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD12 ' HG3' ' A' ' 96' ' ' ARG . 12.3 mt -103.22 127.45 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.82 130.32 36.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.5 mm? -60.77 178.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' ALA . 49.1 p -146.77 159.03 44.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.85 -29.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.45 -62.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 10.5 mm-40 -47.9 -47.03 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 24' ' ' LEU . 10.1 mt -46.85 -40.69 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 66.9 t -70.98 -32.76 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.696 HG21 HD13 ' A' ' 98' ' ' LEU . 1.1 m -74.24 -44.28 53.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.36 82.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.8 pt-20 -56.07 -35.24 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . -61.02 -38.99 88.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.671 HG21 HD22 ' A' ' 94' ' ' LEU . 40.6 t -67.08 -43.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 9.5 ttm180 -49.22 -41.98 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -58.99 -35.36 73.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.3 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.409 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 10.6 m0 -62.6 -53.49 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -54.47 -58.64 6.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -50.57 -48.18 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 mt -63.3 -74.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 18.9 mt -59.81 110.2 2.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -71.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 42' ' ' LEU . 10.2 mttm -40.14 -40.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 92.8 t -62.76 120.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.62 -33.21 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.24 141.03 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG22 HG21 ' A' ' 48' ' ' THR . 2.5 t -118.65 115.38 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.12 -171.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -75.51 -20.31 58.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.33 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.475 HG21 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.93 115.66 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.02 114.21 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.3 t80 -41.74 -28.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 21.4 m-85 -88.14 -67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -41.66 -29.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PHE . 4.8 p -62.61 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.65 40.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -92.01 130.14 37.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.01 -164.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -82.46 -8.75 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -92.12 -42.96 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -52.49 -37.73 57.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 64' ' ' VAL . 74.7 t -50.23 -46.52 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 65' ' ' GLU . 27.6 t -73.06 -35.07 47.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.0 tp -47.18 -46.69 23.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.957 HG13 HD23 ' A' ' 76' ' ' LEU . 66.6 t -66.51 -55.82 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.6 mm-40 -50.56 -39.43 49.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.46 -55.69 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.771 HG11 HD13 ' A' ' 94' ' ' LEU . 48.6 t -58.1 -20.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -66.0 -41.79 90.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.06 -17.83 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 70' ' ' LEU . 13.0 mt -70.18 -48.96 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 98' ' ' LEU . 1.2 t -103.85 5.76 36.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 53.9 t0 60.97 89.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.59 38.82 68.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.759 ' CD2' HG12 ' A' ' 67' ' ' VAL . 58.8 tp -50.21 135.03 21.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -69.68 62.22 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.957 HD23 HG13 ' A' ' 64' ' ' VAL . 9.3 tp -113.08 151.48 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -138.85 157.28 46.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -49.53 -33.21 14.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.9 90.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.52 ' OD1' HD11 ' A' ' 93' ' ' LEU . 57.6 m-20 -50.29 -42.29 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 87.9 t -65.22 -45.75 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.501 ' CE1' HG11 ' A' ' 60' ' ' VAL . 11.6 m-30 -62.77 -19.66 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.8 tpp -89.43 -44.3 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.79 91.5 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.522 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 97.9 p -78.29 -31.52 48.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -87.87 143.14 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 65.7 t80 -55.24 -51.03 67.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.49 -57.37 7.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -61.18 -46.43 90.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -55.2 -56.72 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.678 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 23.4 mm -40.8 -54.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -50.14 -52.78 32.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.63 -47.9 84.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.771 HD13 HG11 ' A' ' 67' ' ' VAL . 3.4 tp -56.21 -62.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 91' ' ' ILE . 77.2 t -42.22 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.767 ' HG3' HD12 ' A' ' 17' ' ' LEU . 28.8 mtt-85 -51.46 -47.6 63.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' HE2' HD11 ' A' ' 93' ' ' LEU . 12.0 mttp -65.2 -24.76 67.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 26' ' ' THR . 31.5 mt -78.92 -52.05 8.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -53.45 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -53.83 -77.0 0.16 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.08 113.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -101.12 136.79 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -119.09 71.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -125.93 174.18 8.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.71 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.67 -138.81 5.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 63.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.83 167.26 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 141.07 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.57 142.98 50.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 p -60.83 143.74 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.23 -157.59 8.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.06 135.71 51.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -53.51 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.63 150.11 5.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -101.19 70.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.65 131.4 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.15 149.63 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.02 130.17 9.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.47 133.32 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.69 105.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m 40.2 88.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.0 p -179.14 156.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.84 137.63 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD12 ' HG3' ' A' ' 96' ' ' ARG . 28.7 mt -76.19 173.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.66 124.91 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.4 mm? -60.66 167.13 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.778 ' C ' HD13 ' A' ' 24' ' ' LEU . 8.5 p -151.19 163.0 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -34.82 -40.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.74 -67.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 95' ' ' VAL . 5.5 mm-40 -48.85 -49.09 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 19' ' ' LEU . 7.3 mp -40.01 -53.27 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.73 -43.92 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.775 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.2 m -75.01 -42.53 57.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.39 -23.79 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.96 -38.33 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.559 HG21 HD22 ' A' ' 94' ' ' LEU . 18.9 t -65.24 -41.47 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 44' ' ' VAL . 7.8 ttp85 -55.96 -42.28 76.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -59.12 -34.47 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.2 t -60.46 -53.7 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -52.15 -60.51 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.75 ' OE1' HG12 ' A' ' 41' ' ' VAL . 18.5 mm100 -52.06 -51.08 59.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.59 -42.64 71.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.0 mt -72.1 -68.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.8 mt -67.16 112.34 9.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 -69.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' PRO . 2.0 mttt -38.82 -43.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.75 HG12 ' OE1' ' A' ' 35' ' ' GLN . 75.2 t -53.54 112.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.5 -33.09 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -144.3 153.38 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 2.2 t -115.11 127.42 72.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -130.6 -178.02 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.42 -23.41 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -29.08 32.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.402 HG21 HG22 ' A' ' 44' ' ' VAL . 3.0 m -54.21 119.89 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.574 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.9 OUTLIER -102.71 111.81 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -33.44 -39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 25.9 m-85 -76.85 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -38.83 -40.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.834 ' HB3' HD22 ' A' ' 38' ' ' LEU . 5.5 m -55.61 -71.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.48 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.25 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.13 -165.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -80.83 -12.87 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -88.66 -39.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -36.47 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.88 ' O ' HG23 ' A' ' 64' ' ' VAL . 53.3 t -51.8 -49.72 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.594 HG12 ' HG3' ' A' ' 65' ' ' GLU . 22.8 t -72.69 -35.32 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -55.83 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.404 HD12 HG23 ' A' ' 67' ' ' VAL . 3.7 tp -55.58 -49.91 71.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' VAL . 44.6 t -61.82 -43.82 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.594 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.7 mm-40 -63.98 -40.69 96.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' OE2' HG13 ' A' ' 33' ' ' VAL . 2.9 mt-10 -62.78 -56.45 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.656 HG12 ' CD2' ' A' ' 74' ' ' LEU . 81.2 t -59.71 -18.16 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HZ3' HG12 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -67.42 -46.61 72.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.41 -18.88 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.6 mt -67.93 -48.06 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -105.85 9.74 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 45.3 t0 61.35 86.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.06 43.08 91.61 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.656 ' CD2' HG12 ' A' ' 67' ' ' VAL . 50.7 tp -49.12 142.87 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -74.15 61.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.768 HD11 ' OD2' ' A' ' 80' ' ' ASP . 12.2 tp -110.19 150.61 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.7 pt-20 -138.22 150.92 47.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -44.07 -31.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.784 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -48.82 -46.81 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.731 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.5 t -63.38 -50.3 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.83 -26.86 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 15.2 tpt -83.02 -43.04 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.85 96.29 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HG ' ' CG ' ' A' ' 49' ' ' ASP . 96.6 p -83.42 -29.11 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.476 HG23 ' OD1' ' A' ' 49' ' ' ASP . 27.3 p -87.7 140.18 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 31' ' ' ARG . 40.1 t80 -50.76 -52.12 43.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.39 -58.13 6.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.38 -46.39 88.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.13 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 95' ' ' VAL . 18.9 mm -40.73 -51.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -49.77 -48.18 50.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.08 -47.42 80.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' N ' HD23 ' A' ' 93' ' ' LEU . 3.7 tp -57.08 -56.02 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.591 HG22 ' OE1' ' A' ' 23' ' ' GLU . 71.6 t -47.64 -43.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.551 ' HG3' HD12 ' A' ' 17' ' ' LEU . 39.2 mtt180 -59.57 -51.82 68.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HE3' HD12 ' A' ' 76' ' ' LEU . 53.2 mttm -62.19 -46.43 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.775 ' CD1' HG21 ' A' ' 26' ' ' THR . 40.8 mt -53.12 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.437 ' NH1' HD22 ' A' ' 17' ' ' LEU . 81.0 mtt180 -53.84 -46.41 71.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.09 -85.75 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -42.32 122.4 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 174.21 143.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.2 166.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.55 -59.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.0 t 62.27 82.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.9 -151.54 29.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.75 160.45 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.42 141.07 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.044 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.941 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -58.3 -58.52 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -79.03 105.11 10.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.45 69.7 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -153.95 159.24 41.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -168.17 121.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.96 -177.72 37.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -49.66 145.03 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 60.3 t80 -58.33 93.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.13 136.53 41.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.76 124.45 1.15 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 58.34 172.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . 79.36 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -116.51 96.1 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.1 p 175.01 103.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG13 ' CG ' ' A' ' 92' ' ' GLN . 57.8 t -130.02 142.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 17' ' ' LEU . 14.2 mt -87.41 123.9 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -90.59 119.44 30.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.9 mm? -56.99 170.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.719 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.48 163.92 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -33.88 -46.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.46 -68.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.9 mt-10 -43.32 -51.27 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.5 mp -39.15 -56.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.76 -44.86 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.873 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -75.13 -39.97 60.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.407 ' HB2' HD12 ' A' ' 19' ' ' LEU . . . -64.89 -21.75 66.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.2 mm-40 -87.42 -35.63 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -64.94 -29.73 70.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.731 HG21 ' CD2' ' A' ' 94' ' ' LEU . 7.9 t -75.6 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.63 -38.16 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -63.81 -29.79 70.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.4 t -65.72 -51.9 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.55 ' CH2' ' CA ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.37 -60.51 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' A' ' 41' ' ' VAL . 6.6 mm100 -48.18 -58.57 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.97 -41.2 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.3 mt -71.85 -71.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.7 mt -64.39 111.95 6.68 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -40.06 -42.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG12 ' OE1' ' A' ' 35' ' ' GLN . 70.1 t -57.85 112.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.2 mt -85.84 -30.27 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 148.35 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.52 126.09 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.59 -174.43 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -75.75 -19.0 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -88.89 -15.05 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -66.71 116.7 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -90.31 113.42 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.427 ' CE2' HG11 ' A' ' 81' ' ' VAL . 31.7 t80 -38.59 -33.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.9 m-85 -84.67 -67.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PHE . 23.7 mtmt -39.63 -31.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.634 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.3 m -61.05 -72.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.38 41.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.89 134.5 40.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.17 -160.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.7 m -85.76 -9.36 57.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -93.05 -31.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.9 92.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 64' ' ' VAL . 43.8 t -47.0 -52.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.488 HG12 ' HG3' ' A' ' 65' ' ' GLU . 17.6 t -67.98 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -58.84 -56.79 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.4 tp -54.03 -51.15 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 60' ' ' VAL . 36.5 t -59.91 -43.26 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.5 mm-40 -62.8 -42.62 99.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HB2' HG11 ' A' ' 33' ' ' VAL . 1.7 mt-10 -62.05 -54.04 47.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.791 HG12 ' CD2' ' A' ' 74' ' ' LEU . 58.6 t -60.42 -22.47 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HD2' HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -64.63 -39.95 94.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.84 -19.4 60.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.4 mt -69.96 -49.09 55.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.436 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -99.42 -0.23 41.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.335 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.2 t70 62.37 80.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 82.98 38.83 10.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.791 ' CD2' HG12 ' A' ' 67' ' ' VAL . 59.9 tp -55.52 129.51 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.48 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.882 HD23 HG13 ' A' ' 64' ' ' VAL . 9.1 tp -117.32 143.75 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.69 168.88 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.453 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 5.6 m-20 -62.83 -36.22 82.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -59.52 -48.63 80.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' GLU . 46.6 m-20 -38.96 -33.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' A' ' 50' ' ' PHE . 31.7 t -73.01 -53.63 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 36.3 m-85 -56.07 -17.05 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -47.2 7.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.519 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -111.76 65.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.0 p -53.95 -40.84 67.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.51 HG23 ' OD1' ' A' ' 49' ' ' ASP . 5.0 p -79.17 136.3 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 91' ' ' ILE . 58.7 t80 -53.88 -46.87 71.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -50.0 -57.05 10.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -61.08 -45.36 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.519 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 72.9 t80 -53.75 -54.15 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 87' ' ' PHE . 23.7 mm -43.15 -59.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.437 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.2 mp0 -45.0 -49.58 11.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.5 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -61.83 -46.21 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.731 ' CD2' HG21 ' A' ' 30' ' ' VAL . 3.1 tp -59.75 -60.34 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 19' ' ' LEU . 81.8 t -44.47 -37.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -63.95 -49.47 72.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.466 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.5 mttp -64.75 -29.91 70.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.873 ' CD1' HG21 ' A' ' 26' ' ' THR . 14.6 mt -72.41 -53.56 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -57.86 -43.27 85.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.72 98.05 0.22 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -79.47 54.85 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -110.08 95.63 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.88 157.27 46.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -82.01 119.08 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.8 m -65.8 105.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.63 89.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.25 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.4 p -179.29 140.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.12 96.43 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.93 126.78 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.8 115.35 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.76 175.68 19.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 46.51 84.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.936 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -114.03 107.14 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.73 -149.62 5.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.85 92.34 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 43.57 90.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.32 154.82 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.27 -130.62 2.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.53 82.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 174.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 p -138.45 124.12 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 p -177.66 158.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.948 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.03 142.63 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD22 ' NH1' ' A' ' 99' ' ' ARG . 22.8 mt -75.35 139.7 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 1.9 tt0 -98.03 126.74 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' CD1' HG21 ' A' ' 95' ' ' VAL . 2.8 mm? -64.74 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -145.99 165.1 29.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -34.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -61.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -45.09 -49.49 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.1 mt -42.28 -50.27 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.79 -50.39 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.717 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.9 m -58.21 -45.18 88.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -33.51 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -37.54 64.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -59.14 -37.96 78.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG21 HD22 ' A' ' 94' ' ' LEU . 24.4 t -72.13 -45.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.99 -40.62 61.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.31 -35.12 74.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.3 t -62.48 -44.52 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.2 m0 -59.2 -61.33 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -48.8 -50.08 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -56.57 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.431 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 10.8 mt -73.02 -71.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.854 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.9 mt -64.64 111.51 5.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -71.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.3 mmmt -39.44 -43.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 72.8 t -55.56 109.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -35.86 39.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -137.49 149.86 47.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 122.04 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -119.51 -175.86 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -74.62 -37.69 62.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 86' ' ' THR . 1.0 OUTLIER -43.35 128.67 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 86' ' ' THR . 0.4 OUTLIER -100.23 118.29 36.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 50.1 t80 -48.15 -22.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.2 m-85 -91.04 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -37.65 -42.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.854 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.6 m -47.27 -52.34 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 134.22 42.27 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -98.34 136.38 38.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.32 167.52 11.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -54.82 -15.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -75.6 -58.68 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.56 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -47.4 -32.69 5.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.76 ' O ' HG23 ' A' ' 64' ' ' VAL . 67.7 t -50.38 -45.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG22 ' OD1' ' A' ' 78' ' ' ASN . 19.1 t -73.87 -36.67 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -56.72 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 67' ' ' VAL . 4.1 tp -51.97 -55.81 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.839 HG13 HD23 ' A' ' 76' ' ' LEU . 45.2 t -56.02 -46.87 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.8 mm-40 -60.29 -39.89 88.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.56 -55.86 17.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.72 HG12 ' CD2' ' A' ' 74' ' ' LEU . 60.4 t -58.58 -20.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.38 -44.06 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -22.89 63.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.5 mt -66.22 -49.97 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.94 -0.79 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.4 t0 62.46 70.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 92.36 41.23 4.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.72 ' CD2' HG12 ' A' ' 67' ' ' VAL . 65.2 tp -56.24 131.43 47.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.95 59.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.839 HD23 HG13 ' A' ' 64' ' ' VAL . 12.5 tp -103.24 158.7 16.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.6 pt-20 -144.77 149.08 34.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.545 ' OD1' HG22 ' A' ' 61' ' ' VAL . 66.4 m-80 -44.81 -30.87 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.38 -43.63 98.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.625 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -48.23 -47.33 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.625 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.7 t -61.5 -51.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.511 ' CE1' HG11 ' A' ' 60' ' ' VAL . 13.6 m-30 -55.49 -27.87 51.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.99 -40.82 16.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.72 93.44 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.7 p -77.98 -55.85 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 49' ' ' ASP . 67.9 p -65.84 146.44 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.745 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 69.5 t80 -56.0 -53.14 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.34 -57.08 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.1 -56.1 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' ILE . 59.0 t80 -45.09 -59.67 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.745 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 30.0 mm -39.93 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.0 mp0 -46.63 -44.07 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -68.03 -45.99 72.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 30' ' ' VAL . 4.4 tp -59.84 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 19' ' ' LEU . 77.6 t -46.36 -41.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.412 ' HE ' HD11 ' A' ' 17' ' ' LEU . 3.9 mtt180 -59.64 -46.96 87.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.414 ' HE2' HD11 ' A' ' 93' ' ' LEU . 13.9 mttp -67.78 -36.26 80.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 26' ' ' THR . 15.7 mt -67.63 -50.39 58.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.812 ' NH1' HD22 ' A' ' 17' ' ' LEU . 87.9 mtt180 -56.1 -46.91 78.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -109.3 -140.78 9.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.65 41.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -113.68 114.47 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.25 121.5 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.98 166.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.03 79.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.55 70.98 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.8 p -84.41 137.87 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 110.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 64.73 143.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -144.44 -58.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.45 -140.81 15.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.9 99.6 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -122.55 127.46 49.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.44 -174.92 22.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.51 139.85 41.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 49.52 99.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -158.03 -62.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.58 -129.31 1.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.45 75.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.14 154.88 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.85 99.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -129.1 166.8 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.594 HG23 ' CG ' ' A' ' 92' ' ' GLN . 2.8 p -133.21 140.64 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' ' 96' ' ' ARG . 78.3 mt -101.13 150.59 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.14 120.14 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.5 mm? -64.85 162.23 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.766 ' C ' HD13 ' A' ' 24' ' ' LEU . 31.0 p -152.58 162.94 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 tt0 -34.49 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -69.15 -70.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 3.9 mm-40 -53.13 -46.87 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 20' ' ' THR . 6.0 mp -40.56 -50.93 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 21' ' ' GLU . 24.2 t -51.15 -42.97 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.3 m -77.72 -42.11 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -62.78 -24.16 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 6.8 mm-40 -86.85 -37.58 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -68.85 -33.75 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 26' ' ' THR . 96.8 t -71.96 -42.18 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.582 ' HG3' ' CE2' ' A' ' 87' ' ' PHE . 7.9 ttm180 -54.16 -33.85 58.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.56 -29.25 62.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 29' ' ' ALA . 67.0 t -65.6 -47.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.504 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 10.8 m0 -59.16 -59.94 4.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . 5.5 mm-40 -49.72 -58.66 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -46.2 -48.67 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.93 -72.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.5 mt -61.82 110.75 3.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.98 -70.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' PRO . 7.6 mmpt? -38.61 -43.52 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 59.5 t -52.32 111.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -26.27 27.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -151.39 151.88 32.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG22 HG21 ' A' ' 48' ' ' THR . 2.2 t -114.45 110.46 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -96.43 -174.64 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.49 -19.97 48.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 25.1 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 48' ' ' THR . 0.7 OUTLIER -90.94 102.66 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.14 120.33 13.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 62.8 t80 -57.96 -17.67 18.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.8 m-30 -93.45 -66.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -39.82 -41.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.576 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.7 m -45.12 -72.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.29 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.449 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -94.98 137.93 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.01 -162.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -82.3 -15.04 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.17 -37.39 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.24 -37.93 70.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 64' ' ' VAL . 82.0 t -51.16 -52.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' A' ' 65' ' ' GLU . 25.2 t -68.65 -36.29 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -59.93 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.462 HD12 HG23 ' A' ' 67' ' ' VAL . 3.4 tp -51.2 -47.05 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 60' ' ' VAL . 45.9 t -63.04 -46.71 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.2 mm-40 -61.71 -44.24 97.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.93 -55.38 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 94' ' ' LEU . 51.2 t -57.52 -21.87 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.36 -44.55 78.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.34 -12.59 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.629 HD12 HG22 ' A' ' 30' ' ' VAL . 16.2 mt -77.25 -45.96 24.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -107.53 14.24 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 61.87 95.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 50.87 45.2 49.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.515 ' CD2' HG12 ' A' ' 67' ' ' VAL . 18.0 tp -47.02 155.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 36.9 mt-10 -86.31 61.03 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.695 ' HB3' HG13 ' A' ' 64' ' ' VAL . 7.4 tp -107.44 156.58 18.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.49 153.23 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -44.97 -34.42 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.4 -47.76 80.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.854 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -48.69 -48.08 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.729 HG23 ' OD1' ' A' ' 80' ' ' ASP . 61.6 t -62.03 -50.35 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -62.44 -14.39 40.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -44.35 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.25 81.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.1 p -66.05 -53.49 37.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 86' ' ' THR . 22.3 p -68.54 149.03 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 5.0 t80 -58.66 -57.71 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' ' NE2' ' A' ' 92' ' ' GLN . . . -40.21 -55.03 3.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.74 -47.84 81.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.426 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 68.0 t80 -54.47 -57.84 9.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.72 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 28.0 mm -41.39 -54.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.594 ' CG ' HG23 ' A' ' 16' ' ' VAL . 1.9 mp0 -48.34 -50.65 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.07 -50.1 71.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 67' ' ' VAL . 1.4 tp -52.76 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.51 ' CG2' HD11 ' A' ' 19' ' ' LEU . 42.2 t -42.3 -53.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.49 ' HG3' HD12 ' A' ' 17' ' ' LEU . 23.5 mtt180 -48.26 -43.08 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HE3' HD12 ' A' ' 76' ' ' LEU . 46.8 mttm -68.61 -41.4 79.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.606 HD22 ' SG ' ' A' ' 71' ' ' CYS . 18.4 mt -54.87 -60.08 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -52.31 -45.56 65.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.61 139.7 6.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 179.88 42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.22 167.15 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.94 146.87 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 176.14 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.4 81.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.029 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.89 -172.48 33.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.89 20.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -143.3 -62.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 p -50.05 141.14 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.01 85.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.22 -58.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.61 -156.42 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -162.6 109.0 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -165.6 131.27 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.94 -69.2 0.49 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 53.66 57.78 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 38.21 57.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 133.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.81 -127.98 1.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.95 139.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.04 -62.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.73 79.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -141.44 170.02 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.37 137.34 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.871 HD22 ' NH1' ' A' ' 99' ' ' ARG . 16.6 mt -79.17 156.43 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 5.3 tt0 -103.71 124.96 49.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -64.16 178.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 22' ' ' ALA . 30.6 p -142.01 158.84 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -28.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.26 -61.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' HB3' HD12 ' A' ' 19' ' ' LEU . 4.8 mm-40 -48.78 -45.63 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 24' ' ' LEU . 10.7 mt -47.98 -39.61 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 55.5 t -71.97 -33.16 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.786 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -72.92 -44.35 61.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.54 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 9.7 pt-20 -55.66 -34.91 65.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.08 -33.97 77.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG21 HD22 ' A' ' 94' ' ' LEU . 21.2 t -72.39 -42.21 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.01 -39.36 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -62.41 -31.87 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 29' ' ' ALA . 42.3 t -63.08 -46.59 95.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.503 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.6 m0 -61.53 -58.2 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.612 HE22 ' HA ' ' A' ' 43' ' ' GLU . 6.3 mm100 -49.58 -56.22 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -51.53 -45.29 62.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 21.6 mt -69.18 -71.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 53' ' ' SER . 17.5 mt -58.53 110.05 2.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -40.16 -42.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 98.9 t -58.96 115.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -27.03 21.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.612 ' HA ' HE22 ' A' ' 35' ' ' GLN . 5.9 pt-20 -146.26 141.54 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.55 134.61 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -125.67 -178.96 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.53 4.66 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -111.55 -16.9 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' THR . 0.9 OUTLIER -67.47 157.15 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.543 ' OD2' HG23 ' A' ' 86' ' ' THR . 0.2 OUTLIER -116.19 124.0 49.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 75.3 t80 -55.23 -20.91 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.9 m-85 -92.9 -67.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 1.4 mptp? -41.43 -39.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.669 ' HB3' HD22 ' A' ' 38' ' ' LEU . 10.4 m -48.55 -51.44 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.46 42.15 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.1 166.76 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -53.85 -16.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -74.89 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.866 ' O ' HG23 ' A' ' 64' ' ' VAL . 75.8 t -48.97 -45.49 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 ' OD1' ' A' ' 78' ' ' ASN . 22.7 t -73.82 -36.67 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -51.5 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 HG23 ' A' ' 67' ' ' VAL . 5.5 tp -56.82 -51.03 70.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 60' ' ' VAL . 36.2 t -59.86 -40.71 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.94 -38.33 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.01 -54.7 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.777 HG12 ' CD2' ' A' ' 74' ' ' LEU . 58.7 t -59.88 -21.54 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.581 ' NZ ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -63.58 -42.07 98.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -24.89 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.9 mt -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.8 t -95.91 -2.55 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' LYS . 20.4 t70 61.66 68.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 98.14 40.73 3.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.777 ' CD2' HG12 ' A' ' 67' ' ' VAL . 53.5 tp -58.37 138.46 56.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -77.46 56.84 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.737 HD23 HG13 ' A' ' 64' ' ' VAL . 9.3 tp -103.31 154.44 19.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -141.27 147.58 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' HG22 ' A' ' 61' ' ' VAL . 68.3 m-20 -41.42 -32.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -59.33 -48.57 81.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.685 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.09 -48.13 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.685 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.8 t -60.53 -49.0 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CE1' HG11 ' A' ' 60' ' ' VAL . 16.1 m-30 -60.51 -17.41 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -46.14 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 83.77 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 89.7 p -69.56 -38.69 77.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.543 HG23 ' OD2' ' A' ' 49' ' ' ASP . 1.9 p -80.63 141.75 34.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 74.3 t80 -56.04 -50.88 69.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.405 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -47.92 -52.97 15.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -40.05 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.58 -53.48 57.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.6 mm -44.34 -56.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.6 mp0 -47.85 -48.6 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.4 -45.05 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.707 HD22 HG21 ' A' ' 30' ' ' VAL . 3.4 tp -60.2 -59.04 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.0 t -47.26 -36.5 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -64.86 -47.76 76.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 10.0 mttm -66.67 -31.9 72.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.786 ' CD1' HG21 ' A' ' 26' ' ' THR . 31.4 mt -71.26 -53.5 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.871 ' NH1' HD22 ' A' ' 17' ' ' LEU . 72.8 mtt180 -53.13 -48.11 68.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.73 109.62 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -160.89 141.17 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 0.804 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.63 141.12 51.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.51 149.28 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.81 148.58 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -61.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.92 98.63 1.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.55 18.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -172.16 140.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.46 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -55.87 159.36 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.67 105.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 131.43 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.63 149.89 52.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -67.23 -58.27 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.99 151.27 21.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.577 1.173 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -142.84 -52.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.62 177.52 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 56.21 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.58 67.07 0.38 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.89 99.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.41 84.75 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.96 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 p -136.46 104.77 5.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.496 HG23 ' CD ' ' A' ' 92' ' ' GLN . 2.7 p -132.44 141.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD22 ' NH1' ' A' ' 99' ' ' ARG . 67.3 mt -99.26 144.97 27.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.97 118.57 30.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.753 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.5 mm? -63.37 163.44 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.781 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.6 p -153.58 164.95 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -35.2 -39.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.97 -72.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -51.77 -47.84 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 20' ' ' THR . 5.9 mp -40.21 -51.61 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' GLU . 27.6 t -50.85 -42.35 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.895 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.1 m -78.46 -42.76 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -61.87 -26.23 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.2 mm-40 -82.9 -37.7 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.32 85.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.495 HG22 HD12 ' A' ' 70' ' ' LEU . 39.5 t -63.56 -40.99 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -39.83 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -62.25 -32.52 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.69 -50.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.56 -45.23 85.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.6 mm100 -61.53 -57.73 10.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -53.0 -43.35 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.01 HD13 ' OD1' ' A' ' 59' ' ' ASP . 25.3 mt -64.52 -70.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.775 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.2 mt -68.89 113.24 14.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -40.17 -41.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.5 109.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.36 -32.09 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.16 138.59 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -112.81 123.46 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -120.56 -171.69 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -78.4 -19.15 53.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -88.8 -15.03 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 133.29 54.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.59 122.41 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 23.4 t80 -45.03 -36.46 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' LYS . 26.6 m-85 -83.06 -65.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PHE . 21.5 mttt -39.12 -33.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.775 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.9 m -62.91 -74.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' N ' HD22 ' A' ' 38' ' ' LEU . . . 166.41 40.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -87.75 139.58 30.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.46 -174.49 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -71.17 -17.09 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -90.72 -33.29 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 1.01 ' OD1' HD13 ' A' ' 37' ' ' ILE . 50.1 t0 -59.31 -36.33 75.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.875 ' O ' HG23 ' A' ' 64' ' ' VAL . 64.2 t -52.06 -51.68 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.702 HG12 ' HG3' ' A' ' 65' ' ' GLU . 39.8 t -68.81 -33.48 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -61.76 -56.95 14.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD12 HG23 ' A' ' 67' ' ' VAL . 3.3 tp -56.35 -49.69 73.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 60' ' ' VAL . 38.5 t -61.34 -40.73 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.702 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.5 mm-40 -67.93 -40.46 83.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.44 -56.43 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.597 HG12 ' CD2' ' A' ' 74' ' ' LEU . 89.6 t -59.27 -17.6 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -68.14 -48.96 63.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -17.92 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.495 HD12 HG22 ' A' ' 30' ' ' VAL . 13.3 mt -68.53 -47.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.0 t -104.53 9.87 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' LYS . 28.6 t0 62.24 81.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.4 44.96 57.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD2' HG12 ' A' ' 67' ' ' VAL . 44.7 tp -50.15 149.96 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.06 60.21 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 HG13 ' A' ' 64' ' ' VAL . 9.2 tp -109.01 147.16 32.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.25 156.58 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.98 -32.67 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -50.57 73.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.733 ' OD1' HD11 ' A' ' 93' ' ' LEU . 61.0 m-20 -45.63 -51.67 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' CG2' ' A' ' 64' ' ' VAL . 59.6 t -55.92 -46.23 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -65.63 -27.57 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.82 -38.59 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 89' ' ' ASP . . . -127.05 92.67 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -77.46 -31.83 54.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.5 p -86.26 147.38 26.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' HE1' HG12 ' A' ' 30' ' ' VAL . 26.0 t80 -57.26 -56.61 19.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.75 -59.66 2.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.425 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 7.8 t0 -58.58 -50.38 74.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -52.19 -61.65 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.434 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.4 mm -40.07 -54.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.496 ' CD ' HG23 ' A' ' 16' ' ' VAL . 65.1 mm-40 -48.95 -47.71 43.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.733 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.04 -45.78 87.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.485 HD13 HG11 ' A' ' 67' ' ' VAL . 3.2 tp -59.23 -57.77 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.558 HG21 HD11 ' A' ' 19' ' ' LEU . 76.5 t -46.51 -35.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -50.48 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HE3' HD11 ' A' ' 93' ' ' LEU . 14.2 mttm -63.92 -33.76 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.895 ' CD1' HG21 ' A' ' 26' ' ' THR . 41.9 mt -67.65 -58.89 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.403 ' NH1' HD22 ' A' ' 17' ' ' LEU . 74.6 mtt180 -52.17 -42.28 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 101' ' ' ASP . . . -58.6 -87.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 100' ' ' GLY . 3.5 t70 81.06 155.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -88.44 123.91 33.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.69 -61.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -177.74 120.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.3 p -177.1 115.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 43.77 -111.58 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 94.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -59.82 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 t 59.93 104.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 42.0 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 95' ' ' VAL . 3.4 mm? -61.28 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 17.2 p -148.91 162.55 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.18 -32.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.49 -61.04 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HB3' HD12 ' A' ' 19' ' ' LEU . 6.4 mt-10 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 24' ' ' LEU . 11.6 mt -49.73 -49.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.97 -50.25 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.819 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -56.8 -45.07 82.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.15 66.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -32.18 56.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.63 89.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.775 HG21 ' CD2' ' A' ' 94' ' ' LEU . 10.6 t -66.49 -38.06 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -56.63 -43.18 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -57.29 -34.91 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.66 -54.76 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -54.42 -58.57 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -48.62 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -47.37 -47.15 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 mt -65.29 -73.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.2 mt -61.26 110.93 3.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -40.02 -42.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -55.52 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -28.77 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.92 148.0 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.47 109.68 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 175.93 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -4.06 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -108.06 -7.06 16.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.66 122.25 22.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.615 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.2 OUTLIER -88.15 126.86 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 67.6 t80 -57.86 -21.34 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.1 m-85 -92.05 -66.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -40.64 -46.89 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.664 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.9 m -39.62 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.34 40.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -96.38 146.47 24.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.34 -163.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 p -81.56 -7.05 59.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.6 -41.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -34.68 60.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.882 ' O ' HG23 ' A' ' 64' ' ' VAL . 76.8 t -53.24 -49.3 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' HG3' ' A' ' 65' ' ' GLU . 21.8 t -72.04 -36.6 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -53.29 59.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.3 tp -57.59 -47.08 83.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 60' ' ' VAL . 48.2 t -63.82 -41.99 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.441 ' HG3' HG12 ' A' ' 61' ' ' VAL . 3.8 mm-40 -66.39 -42.7 87.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.42 -56.13 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.783 HG12 ' CD2' ' A' ' 74' ' ' LEU . 66.9 t -58.36 -23.29 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -64.02 -41.8 97.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.92 -22.44 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.2 mt -67.48 -49.27 64.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.9 t -95.02 -1.92 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . 19.0 t0 61.98 68.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.33 40.81 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.783 ' CD2' HG12 ' A' ' 67' ' ' VAL . 46.4 tp -58.04 130.48 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -72.5 63.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD23 HG13 ' A' ' 64' ' ' VAL . 14.5 tp -107.11 160.58 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -146.98 152.07 38.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 m120 -44.22 -34.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -48.94 76.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.68 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -45.61 -48.18 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.68 HG23 ' OD1' ' A' ' 80' ' ' ASP . 48.3 t -61.88 -48.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.713 ' CE1' HG11 ' A' ' 60' ' ' VAL . 7.8 m-30 -62.36 -17.42 58.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -45.62 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.11 85.42 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 92.3 p -73.08 -38.96 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.615 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.0 p -79.03 146.65 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 78.1 t80 -59.51 -54.49 46.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -43.4 -56.5 4.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.5 -54.39 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.418 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 60.6 t80 -45.84 -55.44 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.5 mm -43.32 -58.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.411 ' N ' ' OE1' ' A' ' 92' ' ' GLN . 1.3 mp0 -45.46 -47.31 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.96 -48.15 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.775 ' CD2' HG21 ' A' ' 30' ' ' VAL . 4.0 tp -57.62 -60.66 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.546 HG12 ' NE ' ' A' ' 99' ' ' ARG . 60.0 t -45.09 -39.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -60.6 -45.2 94.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -69.37 -33.45 73.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.819 ' CD1' HG21 ' A' ' 26' ' ' THR . 10.9 mt -68.18 -57.31 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.546 ' NE ' HG12 ' A' ' 95' ' ' VAL . 22.1 mtt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.5 mm? -60.57 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 12.1 p -147.39 168.69 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.44 -38.66 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HB3' HD12 ' A' ' 19' ' ' LEU . 10.3 mt-10 -43.34 -50.11 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -43.03 -52.71 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.28 -50.09 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.757 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.07 72.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.05 -32.33 61.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.31 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.634 HG21 HD22 ' A' ' 94' ' ' LEU . 13.1 t -75.01 -42.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.2 ttm180 -54.33 -39.27 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -60.57 -31.65 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' OE2' ' A' ' 66' ' ' GLU . 42.2 t -63.81 -57.68 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 11.9 m0 -49.43 -51.43 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -50.53 -62.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -51.37 -49.38 61.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.919 HD13 ' OD1' ' A' ' 59' ' ' ASP . 19.9 mt -60.47 -74.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.866 HD22 ' HB3' ' A' ' 53' ' ' SER . 16.4 mt -60.87 111.08 3.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 -72.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 3.3 mmtt -39.72 -42.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 90.7 t -59.45 115.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -38.44 14.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -130.62 139.37 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 48' ' ' THR . 2.7 t -116.71 119.57 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.02 -171.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.19 -16.41 57.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.9 t -99.55 -3.42 33.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.606 HG21 HG22 ' A' ' 44' ' ' VAL . 1.3 m -64.41 149.49 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -109.24 153.74 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 19.6 t80 -87.75 -63.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.54 -58.27 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -44.3 -54.93 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.866 ' HB3' HD22 ' A' ' 38' ' ' LEU . 2.2 m -42.58 -69.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.79 40.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -92.35 132.91 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.06 -178.45 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -67.95 -18.55 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.952 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 m -86.62 -37.94 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.919 ' OD1' HD13 ' A' ' 37' ' ' ILE . 51.0 t0 -53.78 -41.65 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 64' ' ' VAL . 85.7 t -48.18 -50.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.416 HG12 ' HG3' ' A' ' 65' ' ' GLU . 21.8 t -68.68 -35.51 70.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -62.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 67' ' ' VAL . 3.9 tp -49.27 -49.04 45.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 60' ' ' VAL . 53.3 t -60.84 -44.32 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.9 mm-40 -63.84 -41.9 97.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.531 ' OE2' HG13 ' A' ' 33' ' ' VAL . 3.3 mt-10 -61.87 -56.89 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.781 HG12 ' CD2' ' A' ' 74' ' ' LEU . 80.2 t -58.22 -22.47 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -63.87 -41.63 97.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.1 -23.7 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 15.2 mt -64.6 -50.48 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 3.1 t -95.7 -1.52 49.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 22.3 t70 61.65 69.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.77 40.52 3.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.781 ' CD2' HG12 ' A' ' 67' ' ' VAL . 62.2 tp -57.68 133.07 55.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.35 61.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.648 HD23 HG13 ' A' ' 64' ' ' VAL . 13.4 tp -105.34 151.92 23.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.15 151.28 46.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 56.4 m-80 -46.29 -31.63 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -50.82 72.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.499 ' OD1' HD11 ' A' ' 93' ' ' LEU . 53.4 m-20 -49.05 -46.13 43.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 64' ' ' VAL . 55.6 t -61.7 -44.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 19.4 m-30 -65.27 -13.39 58.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -45.43 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.13 84.46 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -72.49 -28.02 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.966 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -92.35 142.36 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 54.5 t80 -55.68 -59.49 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' PHE . . . -36.22 -60.64 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -58.25 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -41.64 -55.14 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.612 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 23.0 mm -43.13 -55.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.36 -48.45 46.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.7 -45.84 88.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.634 HD22 HG21 ' A' ' 30' ' ' VAL . 4.1 tp -58.33 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.92 -41.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -59.82 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HE3' HD11 ' A' ' 93' ' ' LEU . 11.0 mttm -64.6 -36.84 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.757 ' CD1' HG21 ' A' ' 26' ' ' THR . 16.1 mt -65.82 -56.09 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 24.5 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.7 mt-10 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.603 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.7 mm? -68.01 178.95 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' HD12 ' A' ' 24' ' ' LEU . 58.2 p -131.51 -159.08 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.54 -39.87 62.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.72 -58.17 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.603 ' HB3' HD12 ' A' ' 19' ' ' LEU . 13.6 mm-40 -43.52 -52.12 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 20' ' ' THR . 14.7 mt -42.23 -53.41 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.68 -47.21 79.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.646 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.0 m -60.15 -45.91 91.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.25 -36.28 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -37.22 67.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.76 91.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG12 ' HE1' ' A' ' 87' ' ' PHE . 42.8 t -63.16 -46.08 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -50.58 -40.47 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 t -61.64 -34.21 75.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 66' ' ' GLU . 45.7 t -61.58 -47.65 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.5 m0 -58.21 -58.91 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.497 ' NE2' HG12 ' A' ' 41' ' ' VAL . 2.7 mm-40 -50.45 -57.5 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -46.69 -46.52 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.8 -71.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.807 HD22 ' HB3' ' A' ' 53' ' ' SER . 15.1 mt -60.77 110.76 3.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -40.48 -42.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.497 HG12 ' NE2' ' A' ' 35' ' ' GLN . 53.6 t -55.69 113.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.12 -32.59 18.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -138.96 147.79 42.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.85 114.11 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -111.07 -177.23 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.52 2.04 27.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -114.25 -4.16 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.0 118.95 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -87.14 118.03 26.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CE2' ' HB1' ' A' ' 55' ' ' ALA . 20.5 t80 -41.11 -41.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.3 m-85 -75.61 -63.31 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -39.21 -32.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.807 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.6 m -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.4 42.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -91.59 127.5 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.55 -165.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -83.2 -12.58 56.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -92.73 -36.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.6 -37.12 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.907 ' O ' HG23 ' A' ' 64' ' ' VAL . 87.8 t -49.74 -50.71 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.8 t -69.64 -39.61 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -54.12 -57.05 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.476 HD12 HG23 ' A' ' 67' ' ' VAL . 5.6 tp -54.01 -47.92 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 60' ' ' VAL . 37.5 t -61.4 -39.2 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.81 -42.55 77.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.6 mt-10 -61.19 -56.91 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.783 HG12 ' CD2' ' A' ' 74' ' ' LEU . 94.5 t -57.5 -23.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -20.55 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 30' ' ' VAL . 16.4 mt -69.14 -49.02 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -98.39 -0.36 43.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.8 t70 62.0 77.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 85.23 40.29 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.783 ' CD2' HG12 ' A' ' 67' ' ' VAL . 61.7 tp -56.78 133.83 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.04 60.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.71 HD11 HD21 ' A' ' 93' ' ' LEU . 8.9 tp -106.99 146.19 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -123.91 145.44 49.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' HA ' HG21 ' A' ' 64' ' ' VAL . 5.5 m120 -41.15 -39.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -55.3 -49.34 72.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.635 ' OD2' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -37.92 -35.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.624 ' HB ' HG13 ' A' ' 60' ' ' VAL . 61.1 t -72.82 -57.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.714 ' CE1' HG11 ' A' ' 60' ' ' VAL . 66.8 m-85 -57.25 -15.54 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -43.85 10.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 89' ' ' ASP . . . -121.41 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.401 ' OG ' ' OD2' ' A' ' 49' ' ' ASP . 85.4 p -59.02 -36.31 74.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.665 HG23 ' OD1' ' A' ' 49' ' ' ASP . 3.8 p -79.79 140.82 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 39.6 t80 -57.51 -54.12 50.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.01 -58.83 3.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 0.4 OUTLIER -61.23 -51.09 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -47.46 -48.55 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.529 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 31.8 mm -53.14 -50.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -50.93 -45.32 60.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.71 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -67.2 -47.02 72.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.566 HD13 HG11 ' A' ' 67' ' ' VAL . 5.5 tp -58.46 -60.0 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.544 HG12 ' HD2' ' A' ' 99' ' ' ARG . 56.4 t -46.43 -38.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.45 -45.47 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 8.4 mttm -69.75 -34.06 73.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.646 ' CD1' HG21 ' A' ' 26' ' ' THR . 14.0 mt -68.2 -53.96 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.544 ' HD2' HG12 ' A' ' 95' ' ' VAL . 26.6 mtt180 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 32.7 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.9 mm? -58.22 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.1 p -140.92 -162.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.82 -39.97 83.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . -86.07 -61.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.51 ' HB3' HD12 ' A' ' 19' ' ' LEU . 7.4 mt-10 -38.3 -49.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.2 mt -48.15 -54.67 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -51.98 -50.38 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.794 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.7 m -59.62 -47.2 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.09 -35.05 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -34.01 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG12 ' HE1' ' A' ' 87' ' ' PHE . 43.4 t -64.53 -46.92 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -48.23 -40.59 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -60.83 -34.83 75.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.41 HG13 ' CD ' ' A' ' 66' ' ' GLU . 46.8 t -60.07 -57.67 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.494 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.8 m0 -48.29 -57.26 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.061 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.599 ' NE2' HG12 ' A' ' 41' ' ' VAL . 5.8 mm-40 -52.72 -59.31 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -42.76 14.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.8 mt -71.78 -71.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.5 mt -64.9 112.22 7.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.98 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.419 1.747 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 4.9 mtmt -40.05 -42.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.599 HG12 ' NE2' ' A' ' 35' ' ' GLN . 75.8 t -56.02 112.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mp -90.23 -34.38 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.1 tt0 -133.19 138.61 46.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 t -113.82 108.98 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -111.01 179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.63 -9.41 58.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -97.62 -15.37 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.21 121.55 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.65 120.24 33.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 19.8 t80 -44.22 -30.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.8 m-85 -86.01 -65.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -40.35 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.715 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.6 m -63.48 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.5 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -93.68 130.84 39.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.25 -162.96 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -84.61 -10.22 57.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -91.09 -39.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -34.94 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 64' ' ' VAL . 80.6 t -53.51 -50.0 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.561 HG22 ' OD1' ' A' ' 78' ' ' ASN . 39.8 t -71.13 -33.52 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.03 -60.61 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.3 tp -49.54 -45.62 47.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 60' ' ' VAL . 48.4 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.13 -41.3 99.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' CD ' HG13 ' A' ' 33' ' ' VAL . 3.2 mt-10 -61.75 -57.25 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.77 HG12 ' CD2' ' A' ' 74' ' ' LEU . 81.9 t -57.9 -22.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -63.74 -43.62 95.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -23.85 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 30' ' ' VAL . 16.2 mt -65.47 -49.99 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.67 -0.69 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . 11.5 t70 61.62 70.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.11 40.91 4.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.77 ' CD2' HG12 ' A' ' 67' ' ' VAL . 56.3 tp -56.47 141.57 42.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -80.46 59.65 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.788 ' HB3' HG13 ' A' ' 64' ' ' VAL . 7.3 tp -105.62 148.58 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 152.96 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.561 ' OD1' HG22 ' A' ' 61' ' ' VAL . 58.1 m-80 -45.44 -31.14 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -50.95 71.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.778 ' OD1' HD11 ' A' ' 93' ' ' LEU . 60.7 m-20 -45.44 -50.16 12.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 46.8 t -57.44 -43.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.739 ' CE1' HG11 ' A' ' 60' ' ' VAL . 11.9 m-30 -68.54 -28.35 66.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.7 mmt -76.53 -45.34 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -120.35 88.54 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.411 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 97.1 p -73.18 -31.97 64.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.0 p -88.22 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 33.6 t80 -48.68 -48.02 40.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.12 -64.5 3.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.529 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 5.8 t0 -54.69 -45.55 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.549 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 71.1 t80 -55.52 -60.59 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.643 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 29.3 mm -41.35 -55.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -47.89 -44.49 29.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.778 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -67.88 -46.27 72.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 98' ' ' LEU . 4.4 tp -59.03 -58.13 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.43 HG21 HD11 ' A' ' 19' ' ' LEU . 65.1 t -46.75 -34.27 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -67.35 -47.09 71.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HE3' HD11 ' A' ' 93' ' ' LEU . 8.2 mttm -69.3 -36.03 76.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.794 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.8 mt -66.39 -49.38 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 80.9 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -52.35 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 61.8 p -147.86 -171.79 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.94 -35.47 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 -59.34 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 7.4 mt-10 -41.8 -47.02 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.65 -58.02 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -51.51 -48.41 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.803 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -59.01 -42.08 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.74 84.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -32.87 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.46 -44.67 86.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.62 HG21 ' CD2' ' A' ' 94' ' ' LEU . 17.3 t -66.84 -41.76 88.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -58.38 -36.61 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -63.83 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.757 HG13 ' OE2' ' A' ' 66' ' ' GLU . 46.0 t -65.82 -45.88 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.533 ' HE1' HD11 ' A' ' 63' ' ' LEU . 12.2 m0 -58.35 -56.67 19.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -58.35 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -52.74 -43.9 66.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 58.7 mt -64.73 -72.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 53' ' ' SER . 13.0 mt -65.82 112.67 9.39 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -41.44 -41.75 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.432 HG21 HD13 ' A' ' 38' ' ' LEU . 76.2 t -59.05 117.68 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 -27.07 18.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.98 147.01 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.2 t -112.16 105.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -173.77 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.49 -19.18 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -93.87 -8.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.42 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.51 116.18 23.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CE1' HD22 ' A' ' 63' ' ' LEU . 44.1 t80 -45.25 -28.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 17.2 m-85 -87.12 -66.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PHE . 28.7 mttt -38.97 -39.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.845 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.2 m -51.3 -72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.63 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.02 -166.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -77.65 -13.34 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.54 -40.0 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.8 m-20 -52.95 -34.44 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.886 ' O ' HG23 ' A' ' 64' ' ' VAL . 63.1 t -61.72 -54.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG22 ' OD1' ' A' ' 78' ' ' ASN . 11.6 t -69.49 -38.31 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.08 -39.46 94.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.533 HD11 ' HE1' ' A' ' 34' ' ' TRP . 12.7 tp -68.78 -51.1 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.959 HG13 HD23 ' A' ' 76' ' ' LEU . 30.7 t -60.63 -37.41 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -37.63 82.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.757 ' OE2' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -65.36 -56.17 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.789 HG12 ' CD2' ' A' ' 74' ' ' LEU . 57.8 t -57.48 -22.71 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' NZ ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.7 -25.15 61.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.57 -50.7 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.5 t -94.37 -3.59 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.3 t0 61.4 66.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 101.8 39.13 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.789 ' CD2' HG12 ' A' ' 67' ' ' VAL . 54.8 tp -58.31 138.77 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.43 58.75 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.959 HD23 HG13 ' A' ' 64' ' ' VAL . 10.9 tp -105.51 157.86 17.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.54 157.38 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.526 ' OD1' HG22 ' A' ' 61' ' ' VAL . 68.6 m-20 -51.35 -32.39 25.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.2 -47.77 82.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -46.95 -45.22 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.42 -48.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -60.25 -14.3 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.04 -44.42 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.14 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.4 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 90.1 p -74.34 -41.21 61.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 p -75.51 147.0 40.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.654 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 61.8 t80 -59.38 -47.26 86.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.87 -50.37 44.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.87 -58.61 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.654 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 25.4 mm -42.31 -54.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -49.37 -45.57 46.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.522 HD11 ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -66.55 -47.28 73.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.62 ' CD2' HG21 ' A' ' 30' ' ' VAL . 6.4 tp -58.01 -60.62 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.66 -35.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.522 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.2 mttp -68.48 -35.55 77.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.803 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.9 mt -67.49 -51.06 55.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 74.1 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 10.3 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.2 mm? -60.07 -177.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ALA . 29.2 p -143.86 158.93 43.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.34 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.93 -61.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.505 ' OE1' HG22 ' A' ' 95' ' ' VAL . 11.9 mm-40 -50.24 -48.81 54.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 24' ' ' LEU . 8.9 mt -40.69 -44.5 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.08 -45.31 87.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.693 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -61.32 -44.41 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.27 -34.37 70.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.05 -32.06 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.29 87.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 94' ' ' LEU . 23.1 t -60.63 -41.59 88.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -52.48 -42.91 64.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -57.92 -34.73 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 66' ' ' GLU . 40.8 t -61.81 -57.19 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.2 m0 -52.95 -55.34 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -51.06 -61.48 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -47.23 -34.63 6.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.939 HD13 ' OD1' ' A' ' 59' ' ' ASP . 50.9 mt -78.21 -76.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 53' ' ' SER . 41.0 mt -51.6 104.71 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -72.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -40.7 -33.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 64.3 t -68.42 136.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -97.51 -46.17 6.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.4 tt0 -135.43 143.24 45.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -102.24 118.13 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 0.8 OUTLIER -104.74 -176.44 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 110.334 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.9 -18.94 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 -3.19 45.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.408 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -71.93 132.4 44.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.368 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.7 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.04 121.8 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 54.2 t80 -49.28 -35.81 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.6 m-85 -81.3 -67.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 19.5 mtmt -41.05 -38.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.731 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.7 m -52.99 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.74 41.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -91.39 134.47 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.6 -177.59 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 p -67.73 -17.07 64.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -90.38 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.939 ' OD1' HD13 ' A' ' 37' ' ' ILE . 47.8 t0 -54.71 -39.38 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 64' ' ' VAL . 78.3 t -48.24 -51.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' HG3' ' A' ' 65' ' ' GLU . 13.1 t -68.71 -42.19 82.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -54.3 -50.98 66.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.72 -56.71 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.895 HG13 HD23 ' A' ' 76' ' ' LEU . 21.7 t -56.08 -51.13 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.1 mm-40 -54.93 -49.51 71.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.2 mm-40 -51.6 -59.2 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.781 HG12 HD23 ' A' ' 74' ' ' LEU . 89.2 t -50.37 -45.9 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -40.34 -36.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.34 -44.41 45.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' VAL . 19.6 mt -49.32 -52.18 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.509 ' HB3' ' CB ' ' A' ' 74' ' ' LEU . 19.8 t -85.43 -26.81 26.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 18.8 t70 63.22 54.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.82 37.02 0.49 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.781 HD23 HG12 ' A' ' 67' ' ' VAL . 1.8 tp -90.01 164.0 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.734 ' H ' HD12 ' A' ' 74' ' ' LEU . 16.9 pt-20 -108.8 115.23 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.895 HD23 HG13 ' A' ' 64' ' ' VAL . 9.9 tp -154.26 141.34 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -126.43 155.07 42.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 67.4 m-80 -48.92 -32.48 9.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -44.77 87.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 76' ' ' LEU . 82.3 m-20 -55.01 -40.02 69.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.09 -40.88 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.694 ' CE1' HG11 ' A' ' 60' ' ' VAL . 12.1 m-30 -68.12 -16.55 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.5 tpt -92.57 -47.78 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.85 83.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 62.5 p -72.93 -31.51 64.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.7 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -84.41 142.46 30.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 91' ' ' ILE . 69.9 t80 -54.65 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -37.64 -56.04 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.43 -53.38 58.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -47.93 -58.96 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 87' ' ' PHE . 25.3 mm -40.67 -55.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -48.66 -47.59 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -65.45 -46.55 79.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 30' ' ' VAL . 3.8 tp -58.78 -58.52 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.505 HG22 ' OE1' ' A' ' 23' ' ' GLU . 70.7 t -46.49 -41.84 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -60.87 -41.1 95.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.437 ' HE2' HD11 ' A' ' 93' ' ' LEU . 13.8 mttp -69.84 -39.6 76.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.693 ' CD1' HG21 ' A' ' 26' ' ' THR . 19.5 mt -63.67 -61.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 94.4 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.5 mm? -60.83 179.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -135.62 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -40.03 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.65 -59.6 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.6 mt-10 -39.62 -52.12 2.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 24' ' ' LEU . 14.1 mt -44.73 -55.53 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -50.99 -47.5 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.713 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.4 m -62.34 -44.54 96.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.82 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -38.1 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 70' ' ' LEU . 41.2 t -65.19 -46.1 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -48.8 -38.11 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -63.39 -31.85 73.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.627 HG13 ' OE2' ' A' ' 66' ' ' GLU . 46.2 t -62.57 -46.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.5 m0 -60.91 -57.58 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.7 mm-40 -51.13 -55.86 15.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -53.42 -34.81 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 52.5 mt -75.35 -64.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' ' 53' ' ' SER . 5.9 mt -75.86 113.82 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -41.47 -40.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 83.6 t -59.51 118.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.09 -25.07 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -143.02 148.85 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.6 t -122.33 81.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -177.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.13 -6.74 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -9.45 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.411 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -65.64 121.81 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.496 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -84.01 129.76 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.519 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 49.9 t80 -66.76 -18.83 65.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.8 m-85 -93.2 -65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PHE . 6.4 mptt -40.04 -44.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.847 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.7 m -42.94 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.05 40.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -88.81 144.5 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.44 -167.93 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -73.37 -20.58 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.23 -35.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.496 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.9 m-20 -56.88 -34.05 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.769 ' O ' HG23 ' A' ' 64' ' ' VAL . 72.0 t -62.48 -55.85 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 12.8 t -68.1 -37.57 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD22 ' CE1' ' A' ' 50' ' ' PHE . 11.0 tp -65.04 -57.13 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.91 HG13 HD23 ' A' ' 76' ' ' LEU . 23.7 t -55.35 -40.28 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.3 mm-40 -63.5 -40.68 97.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.627 ' OE2' HG13 ' A' ' 33' ' ' VAL . 1.5 mt-10 -64.22 -56.08 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.78 HG12 ' CD2' ' A' ' 74' ' ' LEU . 54.4 t -58.59 -22.75 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD2' HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -63.78 -42.86 97.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.7 -24.49 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.587 HD12 HG22 ' A' ' 30' ' ' VAL . 13.7 mt -64.88 -50.22 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 t -94.39 -1.0 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.1 t0 61.05 68.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 97.88 40.09 3.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.78 ' CD2' HG12 ' A' ' 67' ' ' VAL . 36.8 tp -57.35 138.03 55.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 59.61 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.91 HD23 HG13 ' A' ' 64' ' ' VAL . 11.2 tp -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.44 154.88 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -45.23 -33.57 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -48.64 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -48.47 -44.97 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.428 HG21 ' CG2' ' A' ' 64' ' ' VAL . 48.9 t -63.64 -46.49 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE1' HG11 ' A' ' 60' ' ' VAL . 17.5 m-30 -60.95 -13.31 15.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.34 91.65 3.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.543 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 79.5 p -79.13 -37.2 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.496 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -81.81 132.75 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 29.3 t80 -43.83 -59.81 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.31 -55.8 2.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -61.08 -51.27 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 83.0 t80 -51.56 -60.94 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.9 mm -40.03 -54.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -48.32 -49.4 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.612 HD21 ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -62.6 -47.9 81.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 67' ' ' VAL . 4.1 tp -55.78 -58.12 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 19' ' ' LEU . 69.2 t -45.39 -50.07 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -43.51 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 11.5 mttm -72.14 -50.97 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.713 ' CD1' HG21 ' A' ' 26' ' ' THR . 12.4 mt -51.88 -44.38 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HD2' HG12 ' A' ' 95' ' ' VAL . 34.4 mtt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.9 mm? -70.94 176.21 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -131.19 -168.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.86 -37.27 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.74 -65.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.721 ' HB3' HD12 ' A' ' 19' ' ' LEU . 7.7 mt-10 -38.71 -53.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' GLU . 18.3 mt -40.15 -50.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.37 -45.6 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.772 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -64.26 -44.83 90.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.93 68.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.7 -34.04 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 94' ' ' LEU . 18.1 t -64.02 -45.95 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -48.32 -44.05 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -55.29 -36.28 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.86 -53.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.481 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.35 -54.57 34.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -55.13 -57.31 12.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -47.53 33.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.93 HG21 ' OD1' ' A' ' 59' ' ' ASP . 58.1 mt -66.98 -71.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 53' ' ' SER . 14.2 mt -58.02 109.65 1.96 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.97 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -39.43 -42.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 73.5 t -56.73 105.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.91 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -150.56 142.27 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 45' ' ' GLU . 2.2 t -105.63 160.58 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 7.4 pt-20 -152.41 -174.16 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -81.83 -19.03 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 -5.47 48.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -71.33 130.85 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' OD2' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.88 114.08 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 32.2 t80 -40.85 -36.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.5 m-85 -81.03 -67.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -41.79 -33.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.776 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.7 m -60.59 -73.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.01 41.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -93.37 134.33 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.33 -169.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.2 p -73.41 -19.32 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 m -88.77 -37.01 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.93 ' OD1' HG21 ' A' ' 37' ' ' ILE . 52.7 t0 -55.17 -39.79 69.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.879 ' O ' HG23 ' A' ' 64' ' ' VAL . 78.0 t -51.39 -53.04 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.19 -37.51 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -65.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.9 tp -47.12 -44.84 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 60' ' ' VAL . 61.8 t -64.5 -45.81 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.18 -41.23 99.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.95 -55.83 19.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.643 HG12 ' CD2' ' A' ' 74' ' ' LEU . 68.8 t -58.36 -20.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -65.88 -45.74 80.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.26 -22.13 65.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 70' ' ' LEU . 13.1 mt -66.38 -49.28 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.6 t -98.49 3.03 48.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 7.4 t70 62.33 75.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 83.77 42.21 7.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.643 ' CD2' HG12 ' A' ' 67' ' ' VAL . 60.6 tp -53.46 142.06 23.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -78.73 60.02 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.824 ' HB3' HG13 ' A' ' 64' ' ' VAL . 11.5 tp -103.5 163.43 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.77 162.77 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.75 -36.88 67.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.63 -41.78 97.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 76' ' ' LEU . 99.1 m-20 -58.05 -38.54 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG21 ' CG2' ' A' ' 64' ' ' VAL . 71.3 t -71.89 -51.83 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -55.94 -17.11 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -44.3 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.449 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.58 90.96 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 77.1 p -79.31 -32.56 43.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.502 HG23 ' OD2' ' A' ' 49' ' ' ASP . 2.4 p -84.16 141.35 31.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 91' ' ' ILE . 63.3 t80 -50.25 -60.45 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -60.42 2.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.83 -55.2 32.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.449 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 79.6 t80 -50.34 -55.41 15.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 87' ' ' PHE . 27.8 mm -44.92 -51.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -49.08 -49.39 41.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 30' ' ' VAL . 3.0 tp -57.37 -59.87 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 19' ' ' LEU . 78.5 t -45.67 -48.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.05 -47.02 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.36 -43.93 76.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.772 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.5 mt -58.11 -46.44 85.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.501 ' HD2' HG12 ' A' ' 95' ' ' VAL . 57.5 mtt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 11.5 pt-20 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.1 mm? -56.01 175.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.5 p -134.84 -158.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.39 -39.56 62.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 -59.37 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.63 ' OE2' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -42.87 -53.5 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.6 mt -39.95 -52.86 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.33 -48.11 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -60.28 -45.91 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.22 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -37.16 69.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.57 89.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG21 HD22 ' A' ' 94' ' ' LEU . 22.5 t -60.42 -44.04 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.78 -41.28 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -59.0 -35.01 72.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.72 -50.81 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 m0 -57.99 -58.9 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -49.55 -51.52 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 34.2 mt -62.97 -72.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.876 HD22 ' HB3' ' A' ' 53' ' ' SER . 20.8 mt -57.84 110.05 2.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -72.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 43.6 mttm -40.26 -41.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 68.9 t -59.39 115.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -29.3 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.3 tt0 -137.4 139.25 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 48' ' ' THR . 2.4 t -114.07 112.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -112.28 -172.88 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.55 -18.66 58.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.19 -7.27 45.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 44' ' ' VAL . 1.2 m -73.94 123.61 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.488 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -96.23 123.35 39.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 35.2 t80 -54.02 -30.79 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.3 m-30 -82.88 -63.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -44.17 -39.52 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.876 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.8 m -50.83 -39.98 54.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 124.99 40.91 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -95.38 130.58 42.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.6 164.76 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 p -53.02 -16.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.561 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -75.12 -59.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.561 ' N ' HG12 ' A' ' 58' ' ' VAL . 2.3 m-20 -47.09 -34.28 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 64' ' ' VAL . 55.9 t -49.33 -46.27 18.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 65' ' ' GLU . 14.4 t -72.87 -37.81 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 2.6 ttt85 -59.38 -56.99 15.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.544 HD12 HG23 ' A' ' 67' ' ' VAL . 4.8 tp -53.73 -55.18 28.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 60' ' ' VAL . 55.4 t -55.17 -40.08 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.58 -39.44 80.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 62' ' ' ARG . 2.2 mt-10 -64.45 -56.81 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.799 HG12 ' CD2' ' A' ' 74' ' ' LEU . 49.3 t -57.4 -21.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.12 -41.43 94.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.59 -22.38 61.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 30' ' ' VAL . 15.7 mt -66.45 -50.14 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.9 t -95.85 -1.52 49.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.5 t70 61.85 69.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.36 39.52 4.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.799 ' CD2' HG12 ' A' ' 67' ' ' VAL . 56.2 tp -57.1 130.55 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.56 59.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.683 ' HB3' HG13 ' A' ' 64' ' ' VAL . 9.4 tp -103.3 158.7 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -147.37 152.61 38.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -46.85 -30.31 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -37.1 85.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.685 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -55.98 -47.6 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.685 HG23 ' OD1' ' A' ' 80' ' ' ASP . 48.2 t -62.45 -46.45 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CE1' HG11 ' A' ' 60' ' ' VAL . 8.8 m-30 -60.93 -20.44 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -46.63 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -119.55 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 32.4 p -75.81 -34.21 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' OD1' ' A' ' 49' ' ' ASP . 16.7 p -85.4 144.98 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 50.6 t80 -53.4 -62.87 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.69 -52.85 2.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -64.34 -47.95 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.437 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 70.3 t80 -54.58 -55.26 31.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.562 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 29.4 mm -44.1 -58.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -45.81 -45.18 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -66.6 -46.33 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.52 HD13 HG11 ' A' ' 67' ' ' VAL . 3.7 tp -59.09 -59.12 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 74.4 t -44.83 -38.91 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -62.26 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.0 mttp -64.42 -38.14 89.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.63 HD12 ' OE2' ' A' ' 23' ' ' GLU . 14.8 mt -62.29 -54.79 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 89.2 mtt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.2 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.5 mm? -57.28 -178.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 22' ' ' ALA . 59.9 p -148.72 163.55 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -48.02 -22.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 20' ' ' THR . . . -88.68 -64.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.0 mm-40 -53.31 -46.18 69.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.8 mt -42.56 -41.7 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.3 -45.29 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.81 HG21 HD11 ' A' ' 98' ' ' LEU . 12.5 m -62.71 -48.46 79.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.43 -34.29 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.23 -39.35 48.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.69 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.691 HG22 HD12 ' A' ' 70' ' ' LEU . 49.2 t -66.39 -40.12 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -54.69 -36.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -65.86 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG13 ' OE1' ' A' ' 66' ' ' GLU . 46.8 t -63.51 -46.22 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 12.5 m0 -62.12 -56.29 20.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.028 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -53.06 -59.34 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -49.12 -43.5 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.413 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 19.4 mt -69.84 -71.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 53' ' ' SER . 14.1 mt -61.45 110.89 3.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -71.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 8.6 mttm -39.36 -43.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 67.3 t -54.73 113.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -30.36 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -146.61 151.41 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.437 HG22 HG21 ' A' ' 48' ' ' THR . 2.2 t -115.67 127.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -172.53 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -78.04 -20.8 51.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -13.03 38.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.437 HG21 HG22 ' A' ' 44' ' ' VAL . 1.3 m -65.59 128.33 35.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 t70 -105.15 120.54 41.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 33.9 t80 -45.67 -30.23 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 26.1 m-85 -85.99 -62.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 1.3 mmtt -40.57 -33.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.82 ' HB3' HD22 ' A' ' 38' ' ' LEU . 9.0 m -60.99 -49.01 79.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 130.29 41.71 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -95.11 130.69 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 58' ' ' VAL . . . -89.04 164.72 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.2 m -52.9 -16.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -73.9 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.584 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -48.97 -33.15 10.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 64' ' ' VAL . 75.9 t -49.9 -44.03 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.572 HG22 ' OD1' ' A' ' 78' ' ' ASN . 18.0 t -75.02 -36.22 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -58.79 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.43 HD12 HG23 ' A' ' 67' ' ' VAL . 3.8 tp -51.48 -49.82 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 60' ' ' VAL . 54.6 t -59.91 -42.9 90.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.01 -41.03 91.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' OE1' HG13 ' A' ' 33' ' ' VAL . 1.2 mm-40 -62.23 -56.79 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' A' ' 74' ' ' LEU . 87.4 t -57.43 -22.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -64.91 -44.15 90.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.08 -20.97 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 30' ' ' VAL . 13.4 mt -68.74 -47.89 65.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.3 t -98.86 1.95 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . 14.1 t0 61.25 73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 87.58 41.68 6.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.729 ' CD2' HG12 ' A' ' 67' ' ' VAL . 58.9 tp -54.58 143.35 24.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.7 60.93 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 64' ' ' VAL . 12.3 tp -108.15 160.97 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.51 152.31 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.572 ' OD1' HG22 ' A' ' 61' ' ' VAL . 66.9 m-80 -48.1 -32.05 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.53 -42.82 99.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.429 ' OD2' HD12 ' A' ' 76' ' ' LEU . 64.4 m-20 -53.18 -45.56 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 85.8 t -61.98 -42.75 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 60' ' ' VAL . 19.7 m-30 -66.19 -18.08 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.79 -44.42 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -116.69 86.37 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.5 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 60.8 p -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 48' ' ' THR . 18.1 p -82.25 143.99 30.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 12.7 t80 -53.94 -58.54 6.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.82 -55.81 2.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -49.49 74.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.444 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 77.7 t80 -52.7 -58.83 5.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.456 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 18.6 mm -42.83 -52.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -48.98 -48.77 42.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -63.0 -48.77 77.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 93' ' ' LEU . 4.4 tp -54.76 -59.46 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG1' ' NE ' ' A' ' 99' ' ' ARG . 52.5 t -45.57 -50.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -51.87 -50.61 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' HE3' HD12 ' A' ' 76' ' ' LEU . 49.5 mttm -62.68 -44.01 97.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 26' ' ' THR . 8.2 mt -54.55 -58.42 7.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.467 ' NE ' ' CG1' ' A' ' 95' ' ' VAL . 26.5 mtt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 4.0 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 95' ' ' VAL . 3.5 mm? -66.48 -176.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.2 p -145.98 165.07 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.26 -37.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.63 -62.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB3' HD12 ' A' ' 19' ' ' LEU . 4.6 mt-10 -42.7 -48.07 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -47.33 -51.54 19.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.36 -50.98 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.849 HG21 HD13 ' A' ' 98' ' ' LEU . 5.4 m -58.17 -45.46 87.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.67 75.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.75 -32.99 70.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.44 -31.92 73.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.613 HG21 HD22 ' A' ' 94' ' ' LEU . 13.9 t -73.89 -40.95 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.8 ttm180 -53.05 -39.99 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.04 -44.35 97.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' A' ' 66' ' ' GLU . 30.5 t -55.85 -33.16 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 87' ' ' PHE . 10.9 m0 -74.87 -43.17 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.51 -57.83 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CG ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.69 -25.43 27.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 32.8 mt -87.45 -38.59 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -104.38 104.68 46.01 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.445 ' C ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -65.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -39.6 -30.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' C ' ' A' ' 39' ' ' PRO . 72.9 t -73.31 107.94 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -35.73 62.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.61 146.81 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.84 150.3 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 -177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.19 2.06 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -106.81 -18.67 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.22 134.68 49.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.5 OUTLIER -101.07 120.83 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.406 ' CE2' ' HB1' ' A' ' 55' ' ' ALA . 13.8 t80 -37.95 -46.54 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 32.4 m-85 -71.82 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 mmpt? -40.17 -43.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.584 ' CB ' HD13 ' A' ' 38' ' ' LEU . 1.2 m -55.18 -63.47 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.86 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -92.54 121.97 34.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.21 -166.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 p -81.28 -10.65 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.27 -37.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -39.6 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 64' ' ' VAL . 85.4 t -49.33 -52.45 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.75 -38.08 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.28 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 67' ' ' VAL . 6.6 tp -52.38 -46.42 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 60' ' ' VAL . 92.8 t -61.89 -35.69 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.63 -46.69 36.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.631 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.2 mt-10 -54.44 -58.48 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.712 HG12 ' CD2' ' A' ' 74' ' ' LEU . 92.9 t -53.16 -35.61 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.14 -35.08 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.81 -32.17 52.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 70' ' ' LEU . 19.6 mt -56.14 -45.1 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.529 ' HB2' HD21 ' A' ' 98' ' ' LEU . 3.5 t -100.32 -13.37 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.3 t70 61.59 61.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.18 33.38 1.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.712 ' CD2' HG12 ' A' ' 67' ' ' VAL . 55.9 tp -62.28 150.78 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' H ' HD12 ' A' ' 74' ' ' LEU . 33.1 mt-10 -96.16 69.37 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 64' ' ' VAL . 16.1 tp -111.28 160.34 17.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.9 pt-20 -144.62 146.82 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -47.18 -33.59 5.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' CD ' ' CD ' ' A' ' 77' ' ' GLU . 3.8 pt-20 -62.01 -38.97 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 77' ' ' GLU . 69.8 m-20 -56.15 -44.25 79.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.38 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -64.96 -14.9 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -45.07 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -114.63 83.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.495 ' HG ' ' CG ' ' A' ' 49' ' ' ASP . 60.9 p -73.32 -31.76 64.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.665 HG23 ' OD1' ' A' ' 49' ' ' ASP . 3.2 p -85.08 130.4 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 86.5 t80 -46.39 -54.97 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.37 -61.18 2.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -57.51 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 78.3 t80 -41.48 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.2 mm -42.49 -57.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.17 -48.59 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 30' ' ' VAL . 1.4 tp -57.61 -57.37 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 19' ' ' LEU . 78.5 t -45.18 -41.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -59.96 -50.56 73.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -62.84 -46.39 88.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.849 HD13 HG21 ' A' ' 26' ' ' THR . 17.5 mt -57.39 -55.68 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 88.0 mtt180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.8 mm? -55.77 169.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.721 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.24 164.38 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -34.31 -46.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.45 -68.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' THR . 3.4 mt-10 -43.96 -51.52 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.6 mp -40.01 -55.32 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 21' ' ' GLU . 76.5 t -46.35 -43.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.94 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.8 m -76.5 -42.24 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.06 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.7 mm-40 -85.64 -38.18 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -62.71 -38.93 92.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.71 HG12 ' HE1' ' A' ' 87' ' ' PHE . 52.9 t -67.56 -43.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -53.75 -38.99 64.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 t -64.61 -31.95 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 29' ' ' ALA . 47.2 t -62.61 -46.7 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -62.99 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.02 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.604 ' NE2' HG12 ' A' ' 41' ' ' VAL . 9.8 mm-40 -52.68 -57.28 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -50.03 -44.83 51.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.45 -72.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 53' ' ' SER . 7.4 mt -64.91 112.25 7.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.41 -42.65 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.604 HG12 ' NE2' ' A' ' 35' ' ' GLN . 71.3 t -57.59 114.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.12 -32.98 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.2 tt0 -136.14 140.43 43.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 48' ' ' THR . 2.5 t -114.12 106.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -99.8 -172.12 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -12.46 59.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -101.25 -2.97 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.517 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -73.81 116.09 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.44 124.02 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.9 t80 -52.67 -22.77 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 29.2 m-85 -91.81 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PHE . 15.2 mtmt -39.35 -34.11 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.859 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.2 m -58.48 -70.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 42.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -94.75 130.53 41.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.05 -163.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.4 -15.66 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -85.74 -36.62 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -34.5 67.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.88 ' O ' HG23 ' A' ' 64' ' ' VAL . 88.4 t -54.03 -50.96 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' A' ' 65' ' ' GLU . 24.8 t -70.13 -35.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -57.63 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.63 -50.01 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' VAL . 43.2 t -61.58 -47.07 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.612 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.8 mm-40 -60.79 -40.8 93.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.06 -57.28 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.776 HG12 ' CD2' ' A' ' 74' ' ' LEU . 67.3 t -59.14 -22.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -63.29 -42.15 99.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.51 -25.59 63.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 34.9 mt -61.95 -51.27 68.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.444 ' HB2' HD21 ' A' ' 98' ' ' LEU . 3.8 t -95.13 -3.16 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.9 t0 62.27 67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 100.43 39.59 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.776 ' CD2' HG12 ' A' ' 67' ' ' VAL . 57.7 tp -57.68 138.8 55.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.81 63.18 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.788 HD23 HG13 ' A' ' 64' ' ' VAL . 9.9 tp -109.69 149.6 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -137.23 153.96 50.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 44.4 m-80 -47.32 -31.28 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -48.45 -51.27 27.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG21 ' CG2' ' A' ' 64' ' ' VAL . 57.5 t -55.99 -43.99 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 17.8 m-30 -67.83 -24.46 65.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mmt -84.37 -42.83 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.94 84.11 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 80.9 p -72.51 -35.28 68.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 48' ' ' THR . 14.6 p -82.96 144.13 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.71 ' HE1' HG12 ' A' ' 30' ' ' VAL . 19.7 t80 -57.02 -55.34 35.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.37 -58.22 3.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -59.81 -51.54 69.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -50.15 -59.33 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 25.1 mm -40.26 -56.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.2 mp0 -47.07 -49.87 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -62.1 -46.7 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.587 HD13 HG11 ' A' ' 67' ' ' VAL . 2.8 tp -58.18 -59.67 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 19' ' ' LEU . 71.2 t -44.44 -41.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -61.78 -52.71 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -60.62 -44.92 95.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.94 ' CD1' HG21 ' A' ' 26' ' ' THR . 15.9 mt -59.35 -54.64 44.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.757 ' HB3' HD12 ' A' ' 24' ' ' LEU . 3.0 mm? -52.48 166.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.752 ' C ' HD13 ' A' ' 24' ' ' LEU . 7.1 p -151.3 161.92 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -33.95 -42.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -70.48 -67.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.566 ' OE2' HD12 ' A' ' 98' ' ' LEU . 5.5 mm-40 -48.21 -49.77 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.9 mp -40.27 -53.38 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 21' ' ' GLU . 54.7 t -48.64 -43.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.72 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.4 m -75.9 -41.27 52.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.11 -21.17 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mm-40 -88.03 -36.9 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.11 -37.79 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 HG22 ' A' ' 67' ' ' VAL . 15.0 t -67.14 -40.84 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -55.11 -43.12 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -59.04 -35.68 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.7 t -59.9 -50.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.506 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.8 m0 -56.32 -60.01 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.583 ' NE2' HG12 ' A' ' 41' ' ' VAL . 2.6 mm-40 -52.3 -57.71 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -40.3 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.408 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 68.4 mt -76.64 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 53' ' ' SER . 19.6 mt -61.13 111.13 3.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -41.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG12 ' NE2' ' A' ' 35' ' ' GLN . 75.9 t -59.28 115.61 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -27.14 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -140.82 139.19 34.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -112.62 114.0 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 11.4 pm0 -103.04 -177.17 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.2 -19.1 54.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.8 t -97.81 -0.83 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.406 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -75.89 121.41 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.499 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -88.98 125.81 35.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 39.5 t80 -54.81 -35.73 64.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.9 m-85 -76.7 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -41.85 -46.88 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.758 ' HB3' HD22 ' A' ' 38' ' ' LEU . 20.9 m -44.34 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.1 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.99 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.46 -163.95 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 p -81.2 -13.58 58.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -88.69 -42.27 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.1 m-20 -51.17 -44.18 61.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.874 ' O ' HG23 ' A' ' 64' ' ' VAL . 55.5 t -46.06 -51.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 t -66.75 -39.18 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -64.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 34' ' ' TRP . 3.3 tp -47.02 -46.96 22.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 60' ' ' VAL . 58.2 t -63.12 -49.06 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 2.1 mm-40 -58.64 -45.77 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.88 -55.58 32.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.643 HG22 HG22 ' A' ' 30' ' ' VAL . 40.0 t -57.24 -23.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -65.97 -44.3 85.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.79 -16.75 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 70' ' ' LEU . 16.2 mt -73.33 -46.55 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.502 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -100.96 6.3 43.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 55.9 t0 61.64 79.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 73.76 44.49 31.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' CD2' HG12 ' A' ' 67' ' ' VAL . 40.0 tp -51.55 160.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 7.1 pt-20 -93.27 61.5 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' A' ' 64' ' ' VAL . 15.1 tp -108.71 160.5 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.79 155.21 38.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 66.9 m-80 -50.97 -31.31 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.01 -47.8 71.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.84 -43.94 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.413 ' CE1' HG11 ' A' ' 60' ' ' VAL . 14.1 m-30 -62.75 -13.32 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -45.52 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -115.81 84.79 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.551 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 58.0 p -74.8 -31.32 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.433 HG23 ' OD1' ' A' ' 49' ' ' ASP . 5.3 p -84.43 144.82 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.464 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 46.3 t80 -55.6 -58.35 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.52 -54.11 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -61.47 -50.27 73.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.438 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 82.1 t80 -54.06 -55.83 23.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 31.3 mm -42.86 -55.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -48.22 -50.92 27.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.64 -47.86 81.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 67' ' ' VAL . 2.6 tp -56.88 -62.72 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.454 HG22 ' OE1' ' A' ' 23' ' ' GLU . 70.6 t -39.78 -50.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -51.58 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 93' ' ' LEU . 12.2 mttp -60.83 -26.01 67.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.72 ' CD1' HG21 ' A' ' 26' ' ' THR . 8.7 mt -76.01 -50.35 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.5 mm? -60.77 178.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' ALA . 49.1 p -146.77 159.03 44.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.85 -29.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.45 -62.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 10.5 mm-40 -47.9 -47.03 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 24' ' ' LEU . 10.1 mt -46.85 -40.69 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 66.9 t -70.98 -32.76 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.696 HG21 HD13 ' A' ' 98' ' ' LEU . 1.1 m -74.24 -44.28 53.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.36 82.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.8 pt-20 -56.07 -35.24 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . -61.02 -38.99 88.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.671 HG21 HD22 ' A' ' 94' ' ' LEU . 40.6 t -67.08 -43.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 9.5 ttm180 -49.22 -41.98 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -58.99 -35.36 73.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.3 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.409 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 10.6 m0 -62.6 -53.49 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.64 6.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -50.57 -48.18 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 mt -63.3 -74.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 18.9 mt -59.81 110.2 2.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -71.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 42' ' ' LEU . 10.2 mttm -40.14 -40.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 92.8 t -62.76 120.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.62 -33.21 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.24 141.03 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.475 HG22 HG21 ' A' ' 48' ' ' THR . 2.5 t -118.65 115.38 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.12 -171.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -75.51 -20.31 58.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.33 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.475 HG21 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.93 115.66 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.02 114.21 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.3 t80 -41.74 -28.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 21.4 m-85 -88.14 -67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -41.66 -29.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PHE . 4.8 p -62.61 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.65 40.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -92.01 130.14 37.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.01 -164.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -82.46 -8.75 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -92.12 -42.96 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -52.49 -37.73 57.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 64' ' ' VAL . 74.7 t -50.23 -46.52 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 65' ' ' GLU . 27.6 t -73.06 -35.07 47.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.0 tp -47.18 -46.69 23.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.957 HG13 HD23 ' A' ' 76' ' ' LEU . 66.6 t -66.51 -55.82 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.6 mm-40 -50.56 -39.43 49.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.46 -55.69 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.771 HG11 HD13 ' A' ' 94' ' ' LEU . 48.6 t -58.1 -20.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -66.0 -41.79 90.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.06 -17.83 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 70' ' ' LEU . 13.0 mt -70.18 -48.96 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 98' ' ' LEU . 1.2 t -103.85 5.76 36.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 53.9 t0 60.97 89.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.59 38.82 68.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.759 ' CD2' HG12 ' A' ' 67' ' ' VAL . 58.8 tp -50.21 135.03 21.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -69.68 62.22 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.957 HD23 HG13 ' A' ' 64' ' ' VAL . 9.3 tp -113.08 151.48 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -138.85 157.28 46.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -49.53 -33.21 14.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.9 90.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.52 ' OD1' HD11 ' A' ' 93' ' ' LEU . 57.6 m-20 -50.29 -42.29 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 87.9 t -65.22 -45.75 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.501 ' CE1' HG11 ' A' ' 60' ' ' VAL . 11.6 m-30 -62.77 -19.66 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.8 tpp -89.43 -44.3 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.79 91.5 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.522 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 97.9 p -78.29 -31.52 48.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -87.87 143.14 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 65.7 t80 -55.24 -51.03 67.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.49 -57.37 7.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -61.18 -46.43 90.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -55.2 -56.72 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.678 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 23.4 mm -40.8 -54.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -50.14 -52.78 32.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.52 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.63 -47.9 84.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.771 HD13 HG11 ' A' ' 67' ' ' VAL . 3.4 tp -56.21 -62.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 91' ' ' ILE . 77.2 t -42.22 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -51.46 -47.6 63.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.46 ' HE2' HD11 ' A' ' 93' ' ' LEU . 12.0 mttp -65.2 -24.76 67.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 26' ' ' THR . 31.5 mt -78.92 -52.05 8.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.4 mm? -60.66 167.13 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.778 ' C ' HD13 ' A' ' 24' ' ' LEU . 8.5 p -151.19 163.0 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -34.82 -40.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.74 -67.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 95' ' ' VAL . 5.5 mm-40 -48.85 -49.09 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 19' ' ' LEU . 7.3 mp -40.01 -53.27 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.73 -43.92 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.775 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.2 m -75.01 -42.53 57.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.39 -23.79 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.96 -38.33 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.559 HG21 HD22 ' A' ' 94' ' ' LEU . 18.9 t -65.24 -41.47 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 44' ' ' VAL . 7.8 ttp85 -55.96 -42.28 76.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -59.12 -34.47 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.2 t -60.46 -53.7 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -52.15 -60.51 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.75 ' OE1' HG12 ' A' ' 41' ' ' VAL . 18.5 mm100 -52.06 -51.08 59.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.59 -42.64 71.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.0 mt -72.1 -68.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.8 mt -67.16 112.34 9.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 -69.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' PRO . 2.0 mttt -38.82 -43.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.75 HG12 ' OE1' ' A' ' 35' ' ' GLN . 75.2 t -53.54 112.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.5 -33.09 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -144.3 153.38 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 2.2 t -115.11 127.42 72.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -130.6 -178.02 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.42 -23.41 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -29.08 32.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.402 HG21 HG22 ' A' ' 44' ' ' VAL . 3.0 m -54.21 119.89 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.574 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.9 OUTLIER -102.71 111.81 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -33.44 -39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 25.9 m-85 -76.85 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -38.83 -40.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.834 ' HB3' HD22 ' A' ' 38' ' ' LEU . 5.5 m -55.61 -71.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.48 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.25 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.13 -165.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -80.83 -12.87 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -88.66 -39.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -36.47 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.88 ' O ' HG23 ' A' ' 64' ' ' VAL . 53.3 t -51.8 -49.72 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.594 HG12 ' HG3' ' A' ' 65' ' ' GLU . 22.8 t -72.69 -35.32 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -55.83 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.404 HD12 HG23 ' A' ' 67' ' ' VAL . 3.7 tp -55.58 -49.91 71.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' VAL . 44.6 t -61.82 -43.82 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.594 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.7 mm-40 -63.98 -40.69 96.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' OE2' HG13 ' A' ' 33' ' ' VAL . 2.9 mt-10 -62.78 -56.45 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.656 HG12 ' CD2' ' A' ' 74' ' ' LEU . 81.2 t -59.71 -18.16 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HZ3' HG12 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -67.42 -46.61 72.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.41 -18.88 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.6 mt -67.93 -48.06 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -105.85 9.74 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 45.3 t0 61.35 86.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.06 43.08 91.61 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.656 ' CD2' HG12 ' A' ' 67' ' ' VAL . 50.7 tp -49.12 142.87 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -74.15 61.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.768 HD11 ' OD2' ' A' ' 80' ' ' ASP . 12.2 tp -110.19 150.61 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.7 pt-20 -138.22 150.92 47.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -44.07 -31.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.784 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -48.82 -46.81 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.731 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.5 t -63.38 -50.3 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.83 -26.86 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 15.2 tpt -83.02 -43.04 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.85 96.29 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HG ' ' CG ' ' A' ' 49' ' ' ASP . 96.6 p -83.42 -29.11 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.476 HG23 ' OD1' ' A' ' 49' ' ' ASP . 27.3 p -87.7 140.18 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 31' ' ' ARG . 40.1 t80 -50.76 -52.12 43.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.39 -58.13 6.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.38 -46.39 88.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.13 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 95' ' ' VAL . 18.9 mm -40.73 -51.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -49.77 -48.18 50.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.08 -47.42 80.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' N ' HD23 ' A' ' 93' ' ' LEU . 3.7 tp -57.08 -56.02 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.591 HG22 ' OE1' ' A' ' 23' ' ' GLU . 71.6 t -47.64 -43.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.57 -51.82 68.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HE3' HD12 ' A' ' 76' ' ' LEU . 53.2 mttm -62.19 -46.43 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.775 ' CD1' HG21 ' A' ' 26' ' ' THR . 40.8 mt -53.12 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.9 mm? -56.99 170.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.719 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.48 163.92 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -33.88 -46.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.46 -68.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.9 mt-10 -43.32 -51.27 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.5 mp -39.15 -56.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.76 -44.86 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.873 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -75.13 -39.97 60.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.407 ' HB2' HD12 ' A' ' 19' ' ' LEU . . . -64.89 -21.75 66.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.2 mm-40 -87.42 -35.63 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -64.94 -29.73 70.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.731 HG21 ' CD2' ' A' ' 94' ' ' LEU . 7.9 t -75.6 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.63 -38.16 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -63.81 -29.79 70.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.4 t -65.72 -51.9 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.55 ' CH2' ' CA ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.37 -60.51 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.558 ' NE2' HG12 ' A' ' 41' ' ' VAL . 5.5 mm-40 -48.18 -58.57 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.97 -41.2 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.3 mt -71.85 -71.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.7 mt -64.39 111.95 6.68 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -40.06 -42.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.558 HG12 ' NE2' ' A' ' 35' ' ' GLN . 70.1 t -57.85 112.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.84 -30.27 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 148.35 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.52 126.09 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.59 -174.43 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -75.75 -19.0 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -88.89 -15.05 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -66.71 116.7 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -90.31 113.42 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.427 ' CE2' HG11 ' A' ' 81' ' ' VAL . 31.7 t80 -38.59 -33.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.9 m-85 -84.67 -67.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PHE . 23.7 mtmt -39.63 -31.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.634 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.3 m -61.05 -72.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.38 41.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.89 134.5 40.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.17 -160.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.7 m -85.76 -9.36 57.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -93.05 -31.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.9 92.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 64' ' ' VAL . 43.8 t -47.0 -52.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.488 HG12 ' HG3' ' A' ' 65' ' ' GLU . 17.6 t -67.98 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -58.84 -56.79 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.4 tp -54.03 -51.15 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 60' ' ' VAL . 36.5 t -59.91 -43.26 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.5 mm-40 -62.8 -42.62 99.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HB2' HG11 ' A' ' 33' ' ' VAL . 1.7 mt-10 -62.05 -54.04 47.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.791 HG12 ' CD2' ' A' ' 74' ' ' LEU . 58.6 t -60.42 -22.47 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HD2' HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -64.63 -39.95 94.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.84 -19.4 60.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.4 mt -69.96 -49.09 55.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.436 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -99.42 -0.23 41.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.335 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.2 t70 62.37 80.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 82.98 38.83 10.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.791 ' CD2' HG12 ' A' ' 67' ' ' VAL . 59.9 tp -55.52 129.51 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.48 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.882 HD23 HG13 ' A' ' 64' ' ' VAL . 9.1 tp -117.32 143.75 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.69 168.88 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.453 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 5.6 m-20 -62.83 -36.22 82.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -59.52 -48.63 80.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' GLU . 46.6 m-20 -38.96 -33.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' A' ' 50' ' ' PHE . 31.7 t -73.01 -53.63 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 36.3 m-85 -56.07 -17.05 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -47.2 7.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.519 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -111.76 65.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.0 p -53.95 -40.84 67.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.51 HG23 ' OD1' ' A' ' 49' ' ' ASP . 5.0 p -79.17 136.3 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 91' ' ' ILE . 58.7 t80 -53.88 -46.87 71.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -50.0 -57.05 10.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -61.08 -45.36 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.519 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 72.9 t80 -53.75 -54.15 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 87' ' ' PHE . 23.7 mm -43.15 -59.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.437 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.2 mp0 -45.0 -49.58 11.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.5 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -61.83 -46.21 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.731 ' CD2' HG21 ' A' ' 30' ' ' VAL . 3.1 tp -59.75 -60.34 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 19' ' ' LEU . 81.8 t -44.47 -37.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -63.95 -49.47 72.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.466 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.5 mttp -64.75 -29.91 70.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.873 ' CD1' HG21 ' A' ' 26' ' ' THR . 14.6 mt -72.41 -53.56 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' CD1' HG21 ' A' ' 95' ' ' VAL . 2.8 mm? -64.74 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -145.99 165.1 29.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -34.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -61.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -45.09 -49.49 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.1 mt -42.28 -50.27 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.79 -50.39 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.717 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.9 m -58.21 -45.18 88.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -33.51 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -37.54 64.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -59.14 -37.96 78.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.642 HG21 HD22 ' A' ' 94' ' ' LEU . 24.4 t -72.13 -45.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.99 -40.62 61.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.31 -35.12 74.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.3 t -62.48 -44.52 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.2 m0 -59.2 -61.33 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' NE2' HG12 ' A' ' 41' ' ' VAL . 5.8 mm-40 -48.8 -50.08 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -56.57 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.431 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 10.8 mt -73.02 -71.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.854 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.9 mt -64.64 111.51 5.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -71.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.3 mmmt -39.44 -43.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 72.8 t -55.56 109.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -35.86 39.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -137.49 149.86 47.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 122.04 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -119.51 -175.86 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -74.62 -37.69 62.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 86' ' ' THR . 1.0 OUTLIER -43.35 128.67 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 86' ' ' THR . 0.4 OUTLIER -100.23 118.29 36.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 50.1 t80 -48.15 -22.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.2 m-85 -91.04 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -37.65 -42.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.854 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.6 m -47.27 -52.34 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 134.22 42.27 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -98.34 136.38 38.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.32 167.52 11.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -54.82 -15.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -75.6 -58.68 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.56 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -47.4 -32.69 5.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.76 ' O ' HG23 ' A' ' 64' ' ' VAL . 67.7 t -50.38 -45.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG22 ' OD1' ' A' ' 78' ' ' ASN . 19.1 t -73.87 -36.67 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -56.72 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 67' ' ' VAL . 4.1 tp -51.97 -55.81 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.839 HG13 HD23 ' A' ' 76' ' ' LEU . 45.2 t -56.02 -46.87 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.8 mm-40 -60.29 -39.89 88.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.56 -55.86 17.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.72 HG12 ' CD2' ' A' ' 74' ' ' LEU . 60.4 t -58.58 -20.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.38 -44.06 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -22.89 63.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.5 mt -66.22 -49.97 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.94 -0.79 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.4 t0 62.46 70.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 92.36 41.23 4.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.72 ' CD2' HG12 ' A' ' 67' ' ' VAL . 65.2 tp -56.24 131.43 47.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.95 59.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.839 HD23 HG13 ' A' ' 64' ' ' VAL . 12.5 tp -103.24 158.7 16.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.6 pt-20 -144.77 149.08 34.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.545 ' OD1' HG22 ' A' ' 61' ' ' VAL . 66.4 m-80 -44.81 -30.87 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.38 -43.63 98.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.625 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -48.23 -47.33 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.625 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.7 t -61.5 -51.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.511 ' CE1' HG11 ' A' ' 60' ' ' VAL . 13.6 m-30 -55.49 -27.87 51.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.99 -40.82 16.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.72 93.44 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.7 p -77.98 -55.85 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 49' ' ' ASP . 67.9 p -65.84 146.44 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.745 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 69.5 t80 -56.0 -53.14 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.34 -57.08 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.1 -56.1 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' ILE . 59.0 t80 -45.09 -59.67 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.745 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 30.0 mm -39.93 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.0 mp0 -46.63 -44.07 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -68.03 -45.99 72.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 30' ' ' VAL . 4.4 tp -59.84 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 19' ' ' LEU . 77.6 t -46.36 -41.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -59.64 -46.96 87.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.414 ' HE2' HD11 ' A' ' 93' ' ' LEU . 13.9 mttp -67.78 -36.26 80.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 26' ' ' THR . 15.7 mt -67.63 -50.39 58.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 87.9 mtt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.5 mm? -64.85 162.23 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.766 ' C ' HD13 ' A' ' 24' ' ' LEU . 31.0 p -152.58 162.94 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 tt0 -34.49 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -69.15 -70.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 3.9 mm-40 -53.13 -46.87 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 20' ' ' THR . 6.0 mp -40.56 -50.93 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 21' ' ' GLU . 24.2 t -51.15 -42.97 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.3 m -77.72 -42.11 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -62.78 -24.16 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 6.8 mm-40 -86.85 -37.58 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -68.85 -33.75 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 26' ' ' THR . 96.8 t -71.96 -42.18 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.582 ' HG3' ' CE2' ' A' ' 87' ' ' PHE . 7.9 ttm180 -54.16 -33.85 58.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.56 -29.25 62.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 29' ' ' ALA . 67.0 t -65.6 -47.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.504 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 10.8 m0 -59.16 -59.94 4.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -49.72 -58.66 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -46.2 -48.67 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.93 -72.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.5 mt -61.82 110.75 3.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.98 -70.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' PRO . 7.6 mmpt? -38.61 -43.52 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 59.5 t -52.32 111.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -26.27 27.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -151.39 151.88 32.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG22 HG21 ' A' ' 48' ' ' THR . 2.2 t -114.45 110.46 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -96.43 -174.64 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.49 -19.97 48.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 25.1 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 48' ' ' THR . 0.7 OUTLIER -90.94 102.66 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.14 120.33 13.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 62.8 t80 -57.96 -17.67 18.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.8 m-30 -93.45 -66.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -39.82 -41.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.576 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.7 m -45.12 -72.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.29 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.449 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -94.98 137.93 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.01 -162.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -82.3 -15.04 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.17 -37.39 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.24 -37.93 70.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 64' ' ' VAL . 82.0 t -51.16 -52.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' A' ' 65' ' ' GLU . 25.2 t -68.65 -36.29 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -59.93 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.462 HD12 HG23 ' A' ' 67' ' ' VAL . 3.4 tp -51.2 -47.05 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 60' ' ' VAL . 45.9 t -63.04 -46.71 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.2 mm-40 -61.71 -44.24 97.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.93 -55.38 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 94' ' ' LEU . 51.2 t -57.52 -21.87 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.36 -44.55 78.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.34 -12.59 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.629 HD12 HG22 ' A' ' 30' ' ' VAL . 16.2 mt -77.25 -45.96 24.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -107.53 14.24 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 61.87 95.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 50.87 45.2 49.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.515 ' CD2' HG12 ' A' ' 67' ' ' VAL . 18.0 tp -47.02 155.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 36.9 mt-10 -86.31 61.03 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.695 ' HB3' HG13 ' A' ' 64' ' ' VAL . 7.4 tp -107.44 156.58 18.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.49 153.23 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -44.97 -34.42 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.4 -47.76 80.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.854 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -48.69 -48.08 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.729 HG23 ' OD1' ' A' ' 80' ' ' ASP . 61.6 t -62.03 -50.35 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -62.44 -14.39 40.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -44.35 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.25 81.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.1 p -66.05 -53.49 37.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 86' ' ' THR . 22.3 p -68.54 149.03 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 5.0 t80 -58.66 -57.71 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.21 -55.03 3.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.74 -47.84 81.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.426 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 68.0 t80 -54.47 -57.84 9.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.72 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 28.0 mm -41.39 -54.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -48.34 -50.65 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.07 -50.1 71.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 67' ' ' VAL . 1.4 tp -52.76 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.51 ' CG2' HD11 ' A' ' 19' ' ' LEU . 42.2 t -42.3 -53.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -48.26 -43.08 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HE3' HD12 ' A' ' 76' ' ' LEU . 46.8 mttm -68.61 -41.4 79.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.606 HD22 ' SG ' ' A' ' 71' ' ' CYS . 18.4 mt -54.87 -60.08 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -64.16 178.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 22' ' ' ALA . 30.6 p -142.01 158.84 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -28.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.26 -61.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' HB3' HD12 ' A' ' 19' ' ' LEU . 4.8 mm-40 -48.78 -45.63 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 24' ' ' LEU . 10.7 mt -47.98 -39.61 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 55.5 t -71.97 -33.16 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.786 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -72.92 -44.35 61.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.54 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 9.7 pt-20 -55.66 -34.91 65.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.08 -33.97 77.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG21 HD22 ' A' ' 94' ' ' LEU . 21.2 t -72.39 -42.21 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.01 -39.36 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -62.41 -31.87 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 29' ' ' ALA . 42.3 t -63.08 -46.59 95.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.503 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.6 m0 -61.53 -58.2 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -49.58 -56.22 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -51.53 -45.29 62.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 21.6 mt -69.18 -71.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 53' ' ' SER . 17.5 mt -58.53 110.05 2.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -40.16 -42.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 98.9 t -58.96 115.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -27.03 21.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -146.26 141.54 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.55 134.61 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -125.67 -178.96 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.53 4.66 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -111.55 -16.9 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' THR . 0.9 OUTLIER -67.47 157.15 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.543 ' OD2' HG23 ' A' ' 86' ' ' THR . 0.2 OUTLIER -116.19 124.0 49.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 75.3 t80 -55.23 -20.91 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.9 m-85 -92.9 -67.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 1.4 mptp? -41.43 -39.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.669 ' HB3' HD22 ' A' ' 38' ' ' LEU . 10.4 m -48.55 -51.44 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.46 42.15 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.1 166.76 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -53.85 -16.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -74.89 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.866 ' O ' HG23 ' A' ' 64' ' ' VAL . 75.8 t -48.97 -45.49 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 ' OD1' ' A' ' 78' ' ' ASN . 22.7 t -73.82 -36.67 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -51.5 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 HG23 ' A' ' 67' ' ' VAL . 5.5 tp -56.82 -51.03 70.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 60' ' ' VAL . 36.2 t -59.86 -40.71 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.94 -38.33 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.01 -54.7 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.777 HG12 ' CD2' ' A' ' 74' ' ' LEU . 58.7 t -59.88 -21.54 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.581 ' NZ ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -63.58 -42.07 98.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -24.89 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.9 mt -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.8 t -95.91 -2.55 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' LYS . 20.4 t70 61.66 68.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 98.14 40.73 3.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.777 ' CD2' HG12 ' A' ' 67' ' ' VAL . 53.5 tp -58.37 138.46 56.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -77.46 56.84 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.737 HD23 HG13 ' A' ' 64' ' ' VAL . 9.3 tp -103.31 154.44 19.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -141.27 147.58 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' HG22 ' A' ' 61' ' ' VAL . 68.3 m-20 -41.42 -32.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -59.33 -48.57 81.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.685 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.09 -48.13 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.685 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.8 t -60.53 -49.0 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CE1' HG11 ' A' ' 60' ' ' VAL . 16.1 m-30 -60.51 -17.41 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -46.14 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 83.77 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 89.7 p -69.56 -38.69 77.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.543 HG23 ' OD2' ' A' ' 49' ' ' ASP . 1.9 p -80.63 141.75 34.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 74.3 t80 -56.04 -50.88 69.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.405 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -47.92 -52.97 15.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -40.05 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.58 -53.48 57.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.6 mm -44.34 -56.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.6 mp0 -47.85 -48.6 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.4 -45.05 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.707 HD22 HG21 ' A' ' 30' ' ' VAL . 3.4 tp -60.2 -59.04 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.0 t -47.26 -36.5 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -47.76 76.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 10.0 mttm -66.67 -31.9 72.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.786 ' CD1' HG21 ' A' ' 26' ' ' THR . 31.4 mt -71.26 -53.5 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 72.8 mtt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.753 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.5 mm? -63.37 163.44 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.781 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.6 p -153.58 164.95 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -35.2 -39.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.97 -72.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -51.77 -47.84 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 20' ' ' THR . 5.9 mp -40.21 -51.61 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' GLU . 27.6 t -50.85 -42.35 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.895 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.1 m -78.46 -42.76 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -61.87 -26.23 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.2 mm-40 -82.9 -37.7 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.32 85.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.495 HG22 HD12 ' A' ' 70' ' ' LEU . 39.5 t -63.56 -40.99 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -39.83 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -62.25 -32.52 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.69 -50.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.56 -45.23 85.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mm-40 -61.53 -57.73 10.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -53.0 -43.35 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.01 HD13 ' OD1' ' A' ' 59' ' ' ASP . 25.3 mt -64.52 -70.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.775 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.2 mt -68.89 113.24 14.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -40.17 -41.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.5 109.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.36 -32.09 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.16 138.59 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -112.81 123.46 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -120.56 -171.69 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -78.4 -19.15 53.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -88.8 -15.03 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 133.29 54.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.59 122.41 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 23.4 t80 -45.03 -36.46 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' LYS . 26.6 m-85 -83.06 -65.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PHE . 21.5 mttt -39.12 -33.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.775 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.9 m -62.91 -74.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' N ' HD22 ' A' ' 38' ' ' LEU . . . 166.41 40.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -87.75 139.58 30.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.46 -174.49 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -71.17 -17.09 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -90.72 -33.29 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 1.01 ' OD1' HD13 ' A' ' 37' ' ' ILE . 50.1 t0 -59.31 -36.33 75.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.875 ' O ' HG23 ' A' ' 64' ' ' VAL . 64.2 t -52.06 -51.68 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.702 HG12 ' HG3' ' A' ' 65' ' ' GLU . 39.8 t -68.81 -33.48 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -61.76 -56.95 14.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD12 HG23 ' A' ' 67' ' ' VAL . 3.3 tp -56.35 -49.69 73.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 60' ' ' VAL . 38.5 t -61.34 -40.73 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.702 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.5 mm-40 -67.93 -40.46 83.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.44 -56.43 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.597 HG12 ' CD2' ' A' ' 74' ' ' LEU . 89.6 t -59.27 -17.6 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -68.14 -48.96 63.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -17.92 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.495 HD12 HG22 ' A' ' 30' ' ' VAL . 13.3 mt -68.53 -47.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.0 t -104.53 9.87 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' LYS . 28.6 t0 62.24 81.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.4 44.96 57.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD2' HG12 ' A' ' 67' ' ' VAL . 44.7 tp -50.15 149.96 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.06 60.21 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 HG13 ' A' ' 64' ' ' VAL . 9.2 tp -109.01 147.16 32.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.25 156.58 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.98 -32.67 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -50.57 73.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.733 ' OD1' HD11 ' A' ' 93' ' ' LEU . 61.0 m-20 -45.63 -51.67 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' CG2' ' A' ' 64' ' ' VAL . 59.6 t -55.92 -46.23 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -65.63 -27.57 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.82 -38.59 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 89' ' ' ASP . . . -127.05 92.67 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -77.46 -31.83 54.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.5 p -86.26 147.38 26.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' HE1' HG12 ' A' ' 30' ' ' VAL . 26.0 t80 -57.26 -56.61 19.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.75 -59.66 2.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.425 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 7.8 t0 -58.58 -50.38 74.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -52.19 -61.65 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.434 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.4 mm -40.07 -54.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -48.95 -47.71 43.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.733 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.04 -45.78 87.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.485 HD13 HG11 ' A' ' 67' ' ' VAL . 3.2 tp -59.23 -57.77 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.558 HG21 HD11 ' A' ' 19' ' ' LEU . 76.5 t -46.51 -35.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -50.48 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HE3' HD11 ' A' ' 93' ' ' LEU . 14.2 mttm -63.92 -33.76 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.895 ' CD1' HG21 ' A' ' 26' ' ' THR . 41.9 mt -67.65 -58.89 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -41.87 143.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -132.23 157.75 43.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.93 140.3 11.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t 54.34 101.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.66 160.59 18.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.95 68.24 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -105.54 131.67 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -169.75 132.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -40.51 139.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.55 99.68 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.38 107.34 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.48 82.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -132.03 178.32 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 16' ' ' VAL . 66.4 m 62.77 111.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 15' ' ' SER . 48.4 t 59.24 152.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.84 HD22 ' NH1' ' A' ' 99' ' ' ARG . 24.5 mt -87.88 158.01 18.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 42.0 mt-10 -104.87 117.12 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 95' ' ' VAL . 3.4 mm? -61.28 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 17.2 p -148.91 162.55 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.18 -32.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.49 -61.04 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HB3' HD12 ' A' ' 19' ' ' LEU . 6.4 mt-10 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 24' ' ' LEU . 11.6 mt -49.73 -49.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.97 -50.25 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.819 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -56.8 -45.07 82.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.15 66.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -32.18 56.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.63 89.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.775 HG21 ' CD2' ' A' ' 94' ' ' LEU . 10.6 t -66.49 -38.06 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -56.63 -43.18 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -57.29 -34.91 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.66 -54.76 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -54.42 -58.57 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -48.62 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -47.37 -47.15 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 mt -65.29 -73.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.2 mt -61.26 110.93 3.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -40.02 -42.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -55.52 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -28.77 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.92 148.0 36.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.47 109.68 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 175.93 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -4.06 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -108.06 -7.06 16.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.66 122.25 22.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.615 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.2 OUTLIER -88.15 126.86 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 67.6 t80 -57.86 -21.34 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.1 m-85 -92.05 -66.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -40.64 -46.89 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.664 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.9 m -39.62 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.34 40.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -96.38 146.47 24.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.34 -163.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 p -81.56 -7.05 59.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.6 -41.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -34.68 60.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.882 ' O ' HG23 ' A' ' 64' ' ' VAL . 76.8 t -53.24 -49.3 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' HG3' ' A' ' 65' ' ' GLU . 21.8 t -72.04 -36.6 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -53.29 59.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.3 tp -57.59 -47.08 83.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 60' ' ' VAL . 48.2 t -63.82 -41.99 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' HG3' HG12 ' A' ' 61' ' ' VAL . 3.8 mm-40 -66.39 -42.7 87.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.42 -56.13 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.783 HG12 ' CD2' ' A' ' 74' ' ' LEU . 66.9 t -58.36 -23.29 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -64.02 -41.8 97.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.92 -22.44 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.2 mt -67.48 -49.27 64.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.9 t -95.02 -1.92 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . 19.0 t0 61.98 68.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.33 40.81 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.783 ' CD2' HG12 ' A' ' 67' ' ' VAL . 46.4 tp -58.04 130.48 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -72.5 63.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD23 HG13 ' A' ' 64' ' ' VAL . 14.5 tp -107.11 160.58 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -146.98 152.07 38.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 m120 -44.22 -34.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -48.94 76.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.68 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -45.61 -48.18 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.68 HG23 ' OD1' ' A' ' 80' ' ' ASP . 48.3 t -61.88 -48.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.713 ' CE1' HG11 ' A' ' 60' ' ' VAL . 7.8 m-30 -62.36 -17.42 58.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -45.62 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.11 85.42 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 92.3 p -73.08 -38.96 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.615 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.0 p -79.03 146.65 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 78.1 t80 -59.51 -54.49 46.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -43.4 -56.5 4.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.5 -54.39 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.418 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 60.6 t80 -45.84 -55.44 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.5 mm -43.32 -58.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.411 ' N ' ' OE1' ' A' ' 92' ' ' GLN . 1.3 mp0 -45.46 -47.31 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.96 -48.15 75.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.775 ' CD2' HG21 ' A' ' 30' ' ' VAL . 4.0 tp -57.62 -60.66 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.546 HG12 ' NE ' ' A' ' 99' ' ' ARG . 60.0 t -45.09 -39.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -60.6 -45.2 94.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -69.37 -33.45 73.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.819 ' CD1' HG21 ' A' ' 26' ' ' THR . 10.9 mt -68.18 -57.31 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.84 ' NH1' HD22 ' A' ' 17' ' ' LEU . 22.1 mtt180 -45.87 -51.53 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.0 -69.28 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 t0 61.84 169.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 67.56 128.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.72 165.17 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.01 96.27 6.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.9 t -48.02 132.98 15.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.32 -144.57 12.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.56 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.11 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 t -58.09 -57.66 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.01 144.7 31.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 m -113.66 111.04 21.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.93 159.06 8.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -91.5 149.24 21.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.75 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -79.11 100.38 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 59.56 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.05 -53.53 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -94.3 145.12 24.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mttm 63.19 148.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . 165.6 -65.66 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . 67.32 97.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.27 63.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.95 146.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p 56.03 167.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.955 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG23 ' NE2' ' A' ' 92' ' ' GLN . 2.2 p -129.58 132.61 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.843 HD22 ' NH1' ' A' ' 99' ' ' ARG . 11.4 mt -75.79 169.84 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.0 tt0 -111.24 119.54 39.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.5 mm? -60.57 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 19' ' ' LEU . 12.1 p -147.39 168.69 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.44 -38.66 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HB3' HD12 ' A' ' 19' ' ' LEU . 10.3 mt-10 -43.34 -50.11 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -43.03 -52.71 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.28 -50.09 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.757 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.07 72.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.05 -32.33 61.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.31 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.634 HG21 HD22 ' A' ' 94' ' ' LEU . 13.1 t -75.01 -42.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.2 ttm180 -54.33 -39.27 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -60.57 -31.65 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' OE2' ' A' ' 66' ' ' GLU . 42.2 t -63.81 -57.68 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 11.9 m0 -49.43 -51.43 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -50.53 -62.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -51.37 -49.38 61.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.919 HD13 ' OD1' ' A' ' 59' ' ' ASP . 19.9 mt -60.47 -74.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.866 HD22 ' HB3' ' A' ' 53' ' ' SER . 16.4 mt -60.87 111.08 3.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 -72.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 3.3 mmtt -39.72 -42.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 90.7 t -59.45 115.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -38.44 14.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -130.62 139.37 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 48' ' ' THR . 2.7 t -116.71 119.57 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.02 -171.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.19 -16.41 57.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.9 t -99.55 -3.42 33.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.606 HG21 HG22 ' A' ' 44' ' ' VAL . 1.3 m -64.41 149.49 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -109.24 153.74 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 19.6 t80 -87.75 -63.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.54 -58.27 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -44.3 -54.93 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.866 ' HB3' HD22 ' A' ' 38' ' ' LEU . 2.2 m -42.58 -69.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.79 40.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -92.35 132.91 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.06 -178.45 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.7 p -67.95 -18.55 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.952 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 m -86.62 -37.94 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.919 ' OD1' HD13 ' A' ' 37' ' ' ILE . 51.0 t0 -53.78 -41.65 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 64' ' ' VAL . 85.7 t -48.18 -50.64 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.416 HG12 ' HG3' ' A' ' 65' ' ' GLU . 21.8 t -68.68 -35.51 70.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -62.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 67' ' ' VAL . 3.9 tp -49.27 -49.04 45.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 60' ' ' VAL . 53.3 t -60.84 -44.32 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.9 mm-40 -63.84 -41.9 97.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.531 ' OE2' HG13 ' A' ' 33' ' ' VAL . 3.3 mt-10 -61.87 -56.89 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.781 HG12 ' CD2' ' A' ' 74' ' ' LEU . 80.2 t -58.22 -22.47 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -63.87 -41.63 97.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.1 -23.7 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 15.2 mt -64.6 -50.48 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 3.1 t -95.7 -1.52 49.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 22.3 t70 61.65 69.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.77 40.52 3.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.781 ' CD2' HG12 ' A' ' 67' ' ' VAL . 62.2 tp -57.68 133.07 55.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.35 61.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.648 HD23 HG13 ' A' ' 64' ' ' VAL . 13.4 tp -105.34 151.92 23.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.15 151.28 46.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 56.4 m-80 -46.29 -31.63 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -50.82 72.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.499 ' OD1' HD11 ' A' ' 93' ' ' LEU . 53.4 m-20 -49.05 -46.13 43.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 64' ' ' VAL . 55.6 t -61.7 -44.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 19.4 m-30 -65.27 -13.39 58.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -45.43 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.13 84.46 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -72.49 -28.02 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.966 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -92.35 142.36 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 54.5 t80 -55.68 -59.49 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' PHE . . . -36.22 -60.64 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -58.25 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -41.64 -55.14 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.612 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 23.0 mm -43.13 -55.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.667 ' NE2' HG23 ' A' ' 16' ' ' VAL . 4.8 mm100 -49.36 -48.45 46.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.7 -45.84 88.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.634 HD22 HG21 ' A' ' 30' ' ' VAL . 4.1 tp -58.33 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.92 -41.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG3' HD11 ' A' ' 17' ' ' LEU . 3.7 mtt180 -59.82 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HE3' HD11 ' A' ' 93' ' ' LEU . 11.0 mttm -64.6 -36.84 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.757 ' CD1' HG21 ' A' ' 26' ' ' THR . 16.1 mt -65.82 -56.09 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.843 ' NH1' HD22 ' A' ' 17' ' ' LEU . 24.5 mtt180 -46.19 -51.62 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.92 70.16 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t0 60.83 161.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.97 136.58 35.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 103.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.63 158.31 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.1 135.46 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.28 38.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 58.06 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.94 174.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.3 t -160.35 -61.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -177.0 118.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.785 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -175.92 124.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.88 107.05 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -117.56 155.89 29.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -52.62 -71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.2 135.32 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 4.2 p90 -72.13 143.75 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.86 125.34 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt 40.34 -159.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.96 -103.64 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.58 151.0 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.53 -61.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m 61.06 121.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.72 150.74 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.807 HD22 HH12 ' A' ' 99' ' ' ARG . 55.1 mt -101.34 143.29 31.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.7 mt-10 -86.03 114.71 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.603 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.7 mm? -68.01 178.95 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' HD12 ' A' ' 24' ' ' LEU . 58.2 p -131.51 -159.08 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.54 -39.87 62.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.72 -58.17 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.603 ' HB3' HD12 ' A' ' 19' ' ' LEU . 13.6 mm-40 -43.52 -52.12 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 20' ' ' THR . 14.7 mt -42.23 -53.41 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.68 -47.21 79.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.646 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.0 m -60.15 -45.91 91.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.25 -36.28 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -37.22 67.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.76 91.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG12 ' HE1' ' A' ' 87' ' ' PHE . 42.8 t -63.16 -46.08 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -50.58 -40.47 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 t -61.64 -34.21 75.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 66' ' ' GLU . 45.7 t -61.58 -47.65 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.5 m0 -58.21 -58.91 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.497 ' NE2' HG12 ' A' ' 41' ' ' VAL . 2.7 mm-40 -50.45 -57.5 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -46.69 -46.52 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.8 -71.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.807 HD22 ' HB3' ' A' ' 53' ' ' SER . 15.1 mt -60.77 110.76 3.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -71.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -40.48 -42.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.497 HG12 ' NE2' ' A' ' 35' ' ' GLN . 53.6 t -55.69 113.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.12 -32.59 18.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -138.96 147.79 42.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.85 114.11 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -111.07 -177.23 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.52 2.04 27.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -114.25 -4.16 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.0 118.95 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -87.14 118.03 26.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CE2' ' HB1' ' A' ' 55' ' ' ALA . 20.5 t80 -41.11 -41.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.3 m-85 -75.61 -63.31 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -39.21 -32.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.807 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.6 m -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.4 42.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -91.59 127.5 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.55 -165.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -83.2 -12.58 56.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -92.73 -36.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.6 -37.12 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.907 ' O ' HG23 ' A' ' 64' ' ' VAL . 87.8 t -49.74 -50.71 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.8 t -69.64 -39.61 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -54.12 -57.05 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD12 HG23 ' A' ' 67' ' ' VAL . 5.6 tp -54.01 -47.92 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 60' ' ' VAL . 37.5 t -61.4 -39.2 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.81 -42.55 77.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.6 mt-10 -61.19 -56.91 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.783 HG12 ' CD2' ' A' ' 74' ' ' LEU . 94.5 t -57.5 -23.34 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -20.55 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 30' ' ' VAL . 16.4 mt -69.14 -49.02 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -98.39 -0.36 43.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.8 t70 62.0 77.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 85.23 40.29 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.783 ' CD2' HG12 ' A' ' 67' ' ' VAL . 61.7 tp -56.78 133.83 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.04 60.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.71 HD11 HD21 ' A' ' 93' ' ' LEU . 8.9 tp -106.99 146.19 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -123.91 145.44 49.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' HA ' HG21 ' A' ' 64' ' ' VAL . 5.5 m120 -41.15 -39.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -55.3 -49.34 72.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.635 ' OD2' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -37.92 -35.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.624 ' HB ' HG13 ' A' ' 60' ' ' VAL . 61.1 t -72.82 -57.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.714 ' CE1' HG11 ' A' ' 60' ' ' VAL . 66.8 m-85 -57.25 -15.54 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -43.85 10.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 89' ' ' ASP . . . -121.41 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' OG ' ' OD2' ' A' ' 49' ' ' ASP . 85.4 p -59.02 -36.31 74.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.665 HG23 ' OD1' ' A' ' 49' ' ' ASP . 3.8 p -79.79 140.82 36.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 39.6 t80 -57.51 -54.12 50.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.01 -58.83 3.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 0.4 OUTLIER -61.23 -51.09 70.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -47.46 -48.55 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.529 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 31.8 mm -53.14 -50.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -50.93 -45.32 60.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.71 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -67.2 -47.02 72.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.566 HD13 HG11 ' A' ' 67' ' ' VAL . 5.5 tp -58.46 -60.0 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.544 HG12 ' HD2' ' A' ' 99' ' ' ARG . 56.4 t -46.43 -38.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.45 -45.47 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 8.4 mttm -69.75 -34.06 73.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.646 ' CD1' HG21 ' A' ' 26' ' ' THR . 14.0 mt -68.2 -53.96 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.807 HH12 HD22 ' A' ' 17' ' ' LEU . 26.6 mtt180 -50.19 -50.31 49.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.1 95.99 0.58 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -126.21 130.32 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.51 106.2 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.29 119.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.45 -63.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.0 p -87.24 133.04 33.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.69 -174.88 15.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.05 42.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -60.95 151.26 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t 70.57 -65.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -165.0 141.95 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p 58.96 113.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.63 165.19 40.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.15 160.57 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.035 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -151.89 85.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.94 117.24 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.155 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -91.86 143.9 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -90.04 -53.87 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 104.42 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.02 154.12 40.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.2 -60.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.8 171.33 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.32 129.43 15.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.693 ' O ' HG12 ' A' ' 16' ' ' VAL . 52.9 p -125.77 103.52 7.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 15' ' ' SER . 10.6 p 49.87 173.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD11 ' HG3' ' A' ' 96' ' ' ARG . 51.5 mt -131.43 146.48 52.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 32.7 mt-10 -94.91 116.06 28.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.9 mm? -58.22 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.1 p -140.92 -162.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.82 -39.97 83.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . -86.07 -61.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.51 ' HB3' HD12 ' A' ' 19' ' ' LEU . 7.4 mt-10 -38.3 -49.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.2 mt -48.15 -54.67 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -51.98 -50.38 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.794 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.7 m -59.62 -47.2 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.09 -35.05 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -34.01 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG12 ' HE1' ' A' ' 87' ' ' PHE . 43.4 t -64.53 -46.92 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -48.23 -40.59 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -60.83 -34.83 75.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.41 HG13 ' CD ' ' A' ' 66' ' ' GLU . 46.8 t -60.07 -57.67 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.494 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.8 m0 -48.29 -57.26 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.061 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.599 ' NE2' HG12 ' A' ' 41' ' ' VAL . 5.8 mm-40 -52.72 -59.31 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -42.76 14.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.8 mt -71.78 -71.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.5 mt -64.9 112.22 7.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.98 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.419 1.747 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 4.9 mtmt -40.05 -42.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.599 HG12 ' NE2' ' A' ' 35' ' ' GLN . 75.8 t -56.02 112.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mp -90.23 -34.38 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.1 tt0 -133.19 138.61 46.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 t -113.82 108.98 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -111.01 179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.63 -9.41 58.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -97.62 -15.37 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.21 121.55 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.65 120.24 33.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 19.8 t80 -44.22 -30.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.8 m-85 -86.01 -65.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -40.35 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.715 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.6 m -63.48 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.5 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -93.68 130.84 39.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.25 -162.96 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -84.61 -10.22 57.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -91.09 -39.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -34.94 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 64' ' ' VAL . 80.6 t -53.51 -50.0 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.561 HG22 ' OD1' ' A' ' 78' ' ' ASN . 39.8 t -71.13 -33.52 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.03 -60.61 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.3 tp -49.54 -45.62 47.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 60' ' ' VAL . 48.4 t -64.19 -45.6 95.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.13 -41.3 99.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' CD ' HG13 ' A' ' 33' ' ' VAL . 3.2 mt-10 -61.75 -57.25 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.77 HG12 ' CD2' ' A' ' 74' ' ' LEU . 81.9 t -57.9 -22.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -63.74 -43.62 95.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -23.85 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 30' ' ' VAL . 16.2 mt -65.47 -49.99 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.67 -0.69 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . 11.5 t70 61.62 70.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.11 40.91 4.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.77 ' CD2' HG12 ' A' ' 67' ' ' VAL . 56.3 tp -56.47 141.57 42.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -80.46 59.65 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.788 ' HB3' HG13 ' A' ' 64' ' ' VAL . 7.3 tp -105.62 148.58 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 152.96 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.561 ' OD1' HG22 ' A' ' 61' ' ' VAL . 58.1 m-80 -45.44 -31.14 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -50.95 71.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.778 ' OD1' HD11 ' A' ' 93' ' ' LEU . 60.7 m-20 -45.44 -50.16 12.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 46.8 t -57.44 -43.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.739 ' CE1' HG11 ' A' ' 60' ' ' VAL . 11.9 m-30 -68.54 -28.35 66.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.7 mmt -76.53 -45.34 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -120.35 88.54 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.411 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 97.1 p -73.18 -31.97 64.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.0 p -88.22 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 33.6 t80 -48.68 -48.02 40.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.12 -64.5 3.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.529 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 5.8 t0 -54.69 -45.55 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.549 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 71.1 t80 -55.52 -60.59 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.643 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 29.3 mm -41.35 -55.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -47.89 -44.49 29.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.778 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -67.88 -46.27 72.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 98' ' ' LEU . 4.4 tp -59.03 -58.13 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.43 HG21 HD11 ' A' ' 19' ' ' LEU . 65.1 t -46.75 -34.27 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.686 ' HG3' HD11 ' A' ' 17' ' ' LEU . 1.1 mtt-85 -67.35 -47.09 71.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HE3' HD11 ' A' ' 93' ' ' LEU . 8.2 mttm -69.3 -36.03 76.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.794 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.8 mt -66.39 -49.38 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 80.9 mtt180 -60.58 -45.53 93.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.41 121.15 2.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -165.37 146.04 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.98 116.23 31.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -81.57 -10.76 59.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.47 146.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.54 142.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.95 148.53 20.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.56 11.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.24 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.08 121.21 39.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.03 139.13 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.78 65.02 0.25 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -127.37 163.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -126.55 156.59 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.48 -158.43 34.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 52.16 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 53.88 169.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.17 71.33 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.19 155.9 22.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.48 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 0.0 109.354 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.57 172.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.62 148.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.21 167.69 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.54 HG23 ' CG ' ' A' ' 92' ' ' GLN . 2.5 p -131.69 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 96' ' ' ARG . 49.4 mt -87.92 146.24 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 2.4 tt0 -96.97 120.01 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -52.35 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 61.8 p -147.86 -171.79 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.94 -35.47 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 -59.34 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 7.4 mt-10 -41.8 -47.02 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.65 -58.02 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -51.51 -48.41 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.803 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -59.01 -42.08 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.74 84.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -32.87 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.46 -44.67 86.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.62 HG21 ' CD2' ' A' ' 94' ' ' LEU . 17.3 t -66.84 -41.76 88.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -58.38 -36.61 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -63.83 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.757 HG13 ' OE2' ' A' ' 66' ' ' GLU . 46.0 t -65.82 -45.88 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.533 ' HE1' HD11 ' A' ' 63' ' ' LEU . 12.2 m0 -58.35 -56.67 19.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -58.35 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -52.74 -43.9 66.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 58.7 mt -64.73 -72.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 53' ' ' SER . 13.0 mt -65.82 112.67 9.39 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -41.44 -41.75 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.432 HG21 HD13 ' A' ' 38' ' ' LEU . 76.2 t -59.05 117.68 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 -27.07 18.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -142.98 147.01 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.2 t -112.16 105.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -173.77 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.49 -19.18 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -93.87 -8.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.42 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.51 116.18 23.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CE1' HD22 ' A' ' 63' ' ' LEU . 44.1 t80 -45.25 -28.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 17.2 m-85 -87.12 -66.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PHE . 28.7 mttt -38.97 -39.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.845 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.2 m -51.3 -72.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.63 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.02 -166.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -77.65 -13.34 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.54 -40.0 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.8 m-20 -52.95 -34.44 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.886 ' O ' HG23 ' A' ' 64' ' ' VAL . 63.1 t -61.72 -54.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG22 ' OD1' ' A' ' 78' ' ' ASN . 11.6 t -69.49 -38.31 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.08 -39.46 94.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.533 HD11 ' HE1' ' A' ' 34' ' ' TRP . 12.7 tp -68.78 -51.1 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.959 HG13 HD23 ' A' ' 76' ' ' LEU . 30.7 t -60.63 -37.41 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -37.63 82.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.757 ' OE2' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -65.36 -56.17 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.789 HG12 ' CD2' ' A' ' 74' ' ' LEU . 57.8 t -57.48 -22.71 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' NZ ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.7 -25.15 61.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.57 -50.7 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.5 t -94.37 -3.59 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.3 t0 61.4 66.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 101.8 39.13 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.789 ' CD2' HG12 ' A' ' 67' ' ' VAL . 54.8 tp -58.31 138.77 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.43 58.75 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.959 HD23 HG13 ' A' ' 64' ' ' VAL . 10.9 tp -105.51 157.86 17.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.54 157.38 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.526 ' OD1' HG22 ' A' ' 61' ' ' VAL . 68.6 m-20 -51.35 -32.39 25.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.2 -47.77 82.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -46.95 -45.22 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.42 -48.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -60.25 -14.3 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.04 -44.42 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.14 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.4 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 90.1 p -74.34 -41.21 61.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 p -75.51 147.0 40.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.654 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 61.8 t80 -59.38 -47.26 86.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.87 -50.37 44.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.87 -58.61 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.654 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 25.4 mm -42.31 -54.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.54 ' CG ' HG23 ' A' ' 16' ' ' VAL . 1.3 mp0 -49.37 -45.57 46.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.522 HD11 ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -66.55 -47.28 73.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.62 ' CD2' HG21 ' A' ' 30' ' ' VAL . 6.4 tp -58.01 -60.62 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.66 -35.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 2.2 mtt85 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.522 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.2 mttp -68.48 -35.55 77.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.803 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.9 mt -67.49 -51.06 55.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 18' ' ' GLU . 74.1 mtt180 -55.5 -48.14 75.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.81 129.19 4.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 179.62 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -173.83 167.65 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.16 74.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.238 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -126.81 176.48 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 m 61.46 143.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -176.57 -84.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.67 13.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.3 m 56.72 -178.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.02 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.054 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -95.32 111.61 23.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -79.35 -58.87 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.29 -94.81 0.89 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.411 1.069 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 109.63 20.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -177.73 -58.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.07 -160.15 28.19 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -107.17 142.61 36.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.22 -56.85 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -141.48 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.84 -72.52 0.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.79 126.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.04 166.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 m -50.91 -58.49 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.87 168.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.61 148.03 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.713 HD22 ' NH1' ' A' ' 99' ' ' ARG . 52.5 mt -91.94 140.77 29.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 10.3 pt-20 -99.51 124.58 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.2 mm? -60.07 -177.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ALA . 29.2 p -143.86 158.93 43.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.34 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.93 -61.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.505 ' OE1' HG22 ' A' ' 95' ' ' VAL . 11.9 mm-40 -50.24 -48.81 54.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 24' ' ' LEU . 8.9 mt -40.69 -44.5 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.08 -45.31 87.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.693 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -61.32 -44.41 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.27 -34.37 70.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.05 -32.06 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.29 87.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 94' ' ' LEU . 23.1 t -60.63 -41.59 88.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -52.48 -42.91 64.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -57.92 -34.73 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 66' ' ' GLU . 40.8 t -61.81 -57.19 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.2 m0 -52.95 -55.34 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -51.06 -61.48 2.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -47.23 -34.63 6.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.939 HD13 ' OD1' ' A' ' 59' ' ' ASP . 50.9 mt -78.21 -76.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 53' ' ' SER . 41.0 mt -51.6 104.71 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -72.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -40.7 -33.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 64.3 t -68.42 136.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -97.51 -46.17 6.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.4 tt0 -135.43 143.24 45.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -102.24 118.13 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 0.8 OUTLIER -104.74 -176.44 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 110.334 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.9 -18.94 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 -3.19 45.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.408 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -71.93 132.4 44.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.368 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.7 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.04 121.8 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 54.2 t80 -49.28 -35.81 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.6 m-85 -81.3 -67.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 19.5 mtmt -41.05 -38.78 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.731 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.7 m -52.99 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.74 41.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -91.39 134.47 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.6 -177.59 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 p -67.73 -17.07 64.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 m -90.38 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.939 ' OD1' HD13 ' A' ' 37' ' ' ILE . 47.8 t0 -54.71 -39.38 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 64' ' ' VAL . 78.3 t -48.24 -51.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' HG3' ' A' ' 65' ' ' GLU . 13.1 t -68.71 -42.19 82.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -54.3 -50.98 66.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.72 -56.71 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.895 HG13 HD23 ' A' ' 76' ' ' LEU . 21.7 t -56.08 -51.13 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.1 mm-40 -54.93 -49.51 71.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.2 mm-40 -51.6 -59.2 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.781 HG12 HD23 ' A' ' 74' ' ' LEU . 89.2 t -50.37 -45.9 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -40.34 -36.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.34 -44.41 45.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' VAL . 19.6 mt -49.32 -52.18 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.509 ' HB3' ' CB ' ' A' ' 74' ' ' LEU . 19.8 t -85.43 -26.81 26.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 18.8 t70 63.22 54.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.82 37.02 0.49 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.781 HD23 HG12 ' A' ' 67' ' ' VAL . 1.8 tp -90.01 164.0 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.734 ' H ' HD12 ' A' ' 74' ' ' LEU . 16.9 pt-20 -108.8 115.23 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.895 HD23 HG13 ' A' ' 64' ' ' VAL . 9.9 tp -154.26 141.34 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -126.43 155.07 42.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 67.4 m-80 -48.92 -32.48 9.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -44.77 87.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 76' ' ' LEU . 82.3 m-20 -55.01 -40.02 69.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.09 -40.88 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.694 ' CE1' HG11 ' A' ' 60' ' ' VAL . 12.1 m-30 -68.12 -16.55 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.5 tpt -92.57 -47.78 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.85 83.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 62.5 p -72.93 -31.51 64.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.7 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -84.41 142.46 30.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 91' ' ' ILE . 69.9 t80 -54.65 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -37.64 -56.04 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.43 -53.38 58.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -47.93 -58.96 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 87' ' ' PHE . 25.3 mm -40.67 -55.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -48.66 -47.59 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -65.45 -46.55 79.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 30' ' ' VAL . 3.8 tp -58.78 -58.52 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.505 HG22 ' OE1' ' A' ' 23' ' ' GLU . 70.7 t -46.49 -41.84 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.414 ' HE ' HD11 ' A' ' 17' ' ' LEU . 4.0 mtt180 -60.87 -41.1 95.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.437 ' HE2' HD11 ' A' ' 93' ' ' LEU . 13.8 mttp -69.84 -39.6 76.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.693 ' CD1' HG21 ' A' ' 26' ' ' THR . 19.5 mt -63.67 -61.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.713 ' NH1' HD22 ' A' ' 17' ' ' LEU . 94.4 mtt180 -44.67 -41.95 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.54 -133.13 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t0 45.63 42.06 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -147.19 94.08 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.68 170.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -112.82 173.06 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 170.43 22.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -134.2 -174.52 13.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 148.26 35.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.55 169.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.8 p -59.04 154.12 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -59.78 99.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 51.83 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.73 76.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -96.68 91.95 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -82.69 -1.67 51.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.04 129.53 5.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -63.35 148.42 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.93 -54.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 -64.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.06 -112.14 2.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.45 154.35 50.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.89 86.18 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t 62.67 121.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -134.12 149.15 51.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.734 HG23 ' NE2' ' A' ' 92' ' ' GLN . 2.8 p -133.3 139.83 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.703 HD22 ' NH1' ' A' ' 99' ' ' ARG . 9.4 mt -91.71 170.63 9.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.41 124.21 47.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.5 mm? -60.83 179.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -135.62 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -40.03 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.65 -59.6 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.6 mt-10 -39.62 -52.12 2.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 24' ' ' LEU . 14.1 mt -44.73 -55.53 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -50.99 -47.5 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.713 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.4 m -62.34 -44.54 96.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.82 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -38.1 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 70' ' ' LEU . 41.2 t -65.19 -46.1 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -48.8 -38.11 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -63.39 -31.85 73.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.627 HG13 ' OE2' ' A' ' 66' ' ' GLU . 46.2 t -62.57 -46.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.5 m0 -60.91 -57.58 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.7 mm-40 -51.13 -55.86 15.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -53.42 -34.81 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 52.5 mt -75.35 -64.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' ' 53' ' ' SER . 5.9 mt -75.86 113.82 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -41.47 -40.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 83.6 t -59.51 118.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.09 -25.07 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -143.02 148.85 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.6 t -122.33 81.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -177.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -79.13 -6.74 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -9.45 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.411 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -65.64 121.81 15.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.496 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -84.01 129.76 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.519 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 49.9 t80 -66.76 -18.83 65.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 22.8 m-85 -93.2 -65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PHE . 6.4 mptt -40.04 -44.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.847 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.7 m -42.94 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.05 40.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -88.81 144.5 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.44 -167.93 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -73.37 -20.58 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.23 -35.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.496 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.9 m-20 -56.88 -34.05 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.769 ' O ' HG23 ' A' ' 64' ' ' VAL . 72.0 t -62.48 -55.85 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 12.8 t -68.1 -37.57 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD22 ' CE1' ' A' ' 50' ' ' PHE . 11.0 tp -65.04 -57.13 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.91 HG13 HD23 ' A' ' 76' ' ' LEU . 23.7 t -55.35 -40.28 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 61' ' ' VAL . 2.3 mm-40 -63.5 -40.68 97.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.627 ' OE2' HG13 ' A' ' 33' ' ' VAL . 1.5 mt-10 -64.22 -56.08 17.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.78 HG12 ' CD2' ' A' ' 74' ' ' LEU . 54.4 t -58.59 -22.75 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD2' HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -63.78 -42.86 97.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.7 -24.49 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.587 HD12 HG22 ' A' ' 30' ' ' VAL . 13.7 mt -64.88 -50.22 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 t -94.39 -1.0 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.1 t0 61.05 68.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 97.88 40.09 3.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.78 ' CD2' HG12 ' A' ' 67' ' ' VAL . 36.8 tp -57.35 138.03 55.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 59.61 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.91 HD23 HG13 ' A' ' 64' ' ' VAL . 11.2 tp -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.44 154.88 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -45.23 -33.57 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -48.64 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -48.47 -44.97 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.428 HG21 ' CG2' ' A' ' 64' ' ' VAL . 48.9 t -63.64 -46.49 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE1' HG11 ' A' ' 60' ' ' VAL . 17.5 m-30 -60.95 -13.31 15.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.34 91.65 3.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.543 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 79.5 p -79.13 -37.2 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.496 HG23 ' OD1' ' A' ' 49' ' ' ASP . 2.6 p -81.81 132.75 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 29.3 t80 -43.83 -59.81 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.31 -55.8 2.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -61.08 -51.27 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 83.0 t80 -51.56 -60.94 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.9 mm -40.03 -54.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.734 ' NE2' HG23 ' A' ' 16' ' ' VAL . 52.0 mm-40 -48.32 -49.4 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.612 HD21 ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -62.6 -47.9 81.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 67' ' ' VAL . 4.1 tp -55.78 -58.12 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 19' ' ' LEU . 69.2 t -45.39 -50.07 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.41 ' HG3' HD11 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -51.2 -43.51 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 11.5 mttm -72.14 -50.97 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.713 ' CD1' HG21 ' A' ' 26' ' ' THR . 12.4 mt -51.88 -44.38 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.703 ' NH1' HD22 ' A' ' 17' ' ' LEU . 34.4 mtt180 -59.62 -47.82 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.7 98.54 0.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -172.52 34.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.59 160.14 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.95 148.99 25.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.22 85.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.5 p -126.14 100.46 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 -171.82 44.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t 59.47 170.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.3 t -168.55 118.33 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -132.33 94.78 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.0 -58.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.79 155.61 17.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -164.83 -57.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m 43.96 76.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 93.92 0.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.108 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.82 162.49 13.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 54.89 168.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -52.95 149.61 6.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.85 141.01 33.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.35 74.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.79 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.1 173.15 7.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 m -166.32 135.48 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.689 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -105.32 138.77 40.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 15' ' ' SER . 8.7 p 50.33 173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.742 HD22 HH12 ' A' ' 99' ' ' ARG . 20.9 mt -98.76 129.87 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -92.69 121.24 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 23' ' ' GLU . 2.9 mm? -70.94 176.21 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -131.19 -168.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.86 -37.27 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.74 -65.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.721 ' HB3' HD12 ' A' ' 19' ' ' LEU . 7.7 mt-10 -38.71 -53.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' GLU . 18.3 mt -40.15 -50.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.37 -45.6 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.772 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.3 m -64.26 -44.83 90.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.93 68.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.7 -34.04 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 94' ' ' LEU . 18.1 t -64.02 -45.95 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -48.32 -44.05 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -55.29 -36.28 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.86 -53.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.481 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.35 -54.57 34.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -55.13 -57.31 12.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -47.53 33.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.93 HG21 ' OD1' ' A' ' 59' ' ' ASP . 58.1 mt -66.98 -71.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 53' ' ' SER . 14.2 mt -58.02 109.65 1.96 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.97 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -39.43 -42.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 73.5 t -56.73 105.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.91 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -150.56 142.27 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 45' ' ' GLU . 2.2 t -105.63 160.58 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 7.4 pt-20 -152.41 -174.16 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -81.83 -19.03 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 -5.47 48.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -71.33 130.85 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' OD2' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -101.88 114.08 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 32.2 t80 -40.85 -36.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 23.5 m-85 -81.03 -67.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -41.79 -33.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.776 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.7 m -60.59 -73.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.01 41.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -93.37 134.33 35.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.33 -169.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.2 p -73.41 -19.32 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 m -88.77 -37.01 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.93 ' OD1' HG21 ' A' ' 37' ' ' ILE . 52.7 t0 -55.17 -39.79 69.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.879 ' O ' HG23 ' A' ' 64' ' ' VAL . 78.0 t -51.39 -53.04 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.19 -37.51 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -65.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.9 tp -47.12 -44.84 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 60' ' ' VAL . 61.8 t -64.5 -45.81 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.18 -41.23 99.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.95 -55.83 19.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.643 HG12 ' CD2' ' A' ' 74' ' ' LEU . 68.8 t -58.36 -20.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -65.88 -45.74 80.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.26 -22.13 65.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 70' ' ' LEU . 13.1 mt -66.38 -49.28 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.6 t -98.49 3.03 48.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 108.316 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 7.4 t70 62.33 75.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 83.77 42.21 7.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.643 ' CD2' HG12 ' A' ' 67' ' ' VAL . 60.6 tp -53.46 142.06 23.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -78.73 60.02 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.824 ' HB3' HG13 ' A' ' 64' ' ' VAL . 11.5 tp -103.5 163.43 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.77 162.77 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.75 -36.88 67.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.63 -41.78 97.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' OD2' HD12 ' A' ' 76' ' ' LEU . 99.1 m-20 -58.05 -38.54 76.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG21 ' CG2' ' A' ' 64' ' ' VAL . 71.3 t -71.89 -51.83 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -55.94 -17.11 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -44.3 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.449 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.58 90.96 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 77.1 p -79.31 -32.56 43.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.502 HG23 ' OD2' ' A' ' 49' ' ' ASP . 2.4 p -84.16 141.35 31.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 91' ' ' ILE . 63.3 t80 -50.25 -60.45 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -60.42 2.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.83 -55.2 32.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.449 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 79.6 t80 -50.34 -55.41 15.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 87' ' ' PHE . 27.8 mm -44.92 -51.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -49.08 -49.39 41.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 30' ' ' VAL . 3.0 tp -57.37 -59.87 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 19' ' ' LEU . 78.5 t -45.67 -48.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.05 -47.02 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.36 -43.93 76.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.772 ' CD1' HG21 ' A' ' 26' ' ' THR . 13.5 mt -58.11 -46.44 85.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.742 HH12 HD22 ' A' ' 17' ' ' LEU . 57.5 mtt180 -59.95 -47.63 85.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 171.82 -125.19 1.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.12 41.85 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -157.5 68.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.58 -14.6 19.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.04 -66.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 t -55.12 -58.04 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.04 31.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.72 87.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.5 m 65.32 139.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -100.09 168.7 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t 64.06 128.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.029 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.55 -126.37 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -152.46 157.64 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -95.4 91.22 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.08 -93.82 0.59 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -172.99 134.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -97.35 168.16 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 138.16 58.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.95 76.51 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.2 171.4 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 0.72 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.49 159.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t 53.72 86.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -143.6 147.72 34.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.023 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.562 HG13 ' CG ' ' A' ' 92' ' ' GLN . 29.8 t 59.89 149.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD22 ' NH1' ' A' ' 99' ' ' ARG . 65.1 mt -98.31 138.22 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 11.5 pt-20 -88.57 120.3 29.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.1 mm? -56.01 175.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.5 p -134.84 -158.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.39 -39.56 62.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 -59.37 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.63 ' OE2' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -42.87 -53.5 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.6 mt -39.95 -52.86 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.33 -48.11 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 98' ' ' LEU . 3.3 m -60.28 -45.91 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.22 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -37.16 69.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.57 89.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG21 HD22 ' A' ' 94' ' ' LEU . 22.5 t -60.42 -44.04 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.78 -41.28 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -59.0 -35.01 72.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.72 -50.81 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 m0 -57.99 -58.9 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -49.55 -51.52 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 34.2 mt -62.97 -72.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.876 HD22 ' HB3' ' A' ' 53' ' ' SER . 20.8 mt -57.84 110.05 2.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -72.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' PRO . 43.6 mttm -40.26 -41.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 68.9 t -59.39 115.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -29.3 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.3 tt0 -137.4 139.25 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 48' ' ' THR . 2.4 t -114.07 112.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -112.28 -172.88 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.55 -18.66 58.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.19 -7.27 45.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 44' ' ' VAL . 1.2 m -73.94 123.61 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.488 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -96.23 123.35 39.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 35.2 t80 -54.02 -30.79 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.3 m-30 -82.88 -63.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -44.17 -39.52 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.876 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.8 m -50.83 -39.98 54.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 124.99 40.91 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PHE . . . -95.38 130.58 42.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.6 164.76 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 p -53.02 -16.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.561 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -75.12 -59.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.561 ' N ' HG12 ' A' ' 58' ' ' VAL . 2.3 m-20 -47.09 -34.28 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 64' ' ' VAL . 55.9 t -49.33 -46.27 18.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 65' ' ' GLU . 14.4 t -72.87 -37.81 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 2.6 ttt85 -59.38 -56.99 15.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.544 HD12 HG23 ' A' ' 67' ' ' VAL . 4.8 tp -53.73 -55.18 28.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 60' ' ' VAL . 55.4 t -55.17 -40.08 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.7 mm-40 -68.58 -39.44 80.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 62' ' ' ARG . 2.2 mt-10 -64.45 -56.81 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.799 HG12 ' CD2' ' A' ' 74' ' ' LEU . 49.3 t -57.4 -21.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.12 -41.43 94.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.59 -22.38 61.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 30' ' ' VAL . 15.7 mt -66.45 -50.14 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.9 t -95.85 -1.52 49.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.5 t70 61.85 69.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 96.36 39.52 4.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.799 ' CD2' HG12 ' A' ' 67' ' ' VAL . 56.2 tp -57.1 130.55 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.56 59.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.683 ' HB3' HG13 ' A' ' 64' ' ' VAL . 9.4 tp -103.3 158.7 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 2.3 pt-20 -147.37 152.61 38.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -46.85 -30.31 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -37.1 85.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.685 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -55.98 -47.6 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.685 HG23 ' OD1' ' A' ' 80' ' ' ASP . 48.2 t -62.45 -46.45 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CE1' HG11 ' A' ' 60' ' ' VAL . 8.8 m-30 -60.93 -20.44 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -46.63 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -119.55 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 32.4 p -75.81 -34.21 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' OD1' ' A' ' 49' ' ' ASP . 16.7 p -85.4 144.98 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 50.6 t80 -53.4 -62.87 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.69 -52.85 2.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -64.34 -47.95 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.437 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 70.3 t80 -54.58 -55.26 31.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.562 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 29.4 mm -44.1 -58.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.562 ' CG ' HG13 ' A' ' 16' ' ' VAL . 1.5 mp0 -45.81 -45.18 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -66.6 -46.33 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.52 HD13 HG11 ' A' ' 67' ' ' VAL . 3.7 tp -59.09 -59.12 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 74.4 t -44.83 -38.91 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -62.26 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.0 mttp -64.42 -38.14 89.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.63 HD12 ' OE2' ' A' ' 23' ' ' GLU . 14.8 mt -62.29 -54.79 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.637 ' NH1' HD22 ' A' ' 17' ' ' LEU . 89.2 mtt180 -57.16 -45.99 83.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 151.42 129.3 1.54 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -166.38 164.88 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 67.23 118.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.88 164.58 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.68 161.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 p -79.97 155.04 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.68 -145.08 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 m 49.78 87.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t 179.76 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -160.29 -58.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.08 170.21 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.162 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -138.37 113.27 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 p 179.96 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.91 101.78 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 27.2 p90 -108.29 127.92 54.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -119.94 -56.05 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 159.81 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.47 -100.6 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.08 169.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.35 161.99 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.45 132.07 2.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.701 ' O ' HG12 ' A' ' 16' ' ' VAL . 93.7 p -136.43 166.09 24.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.701 HG12 ' O ' ' A' ' 15' ' ' SER . 8.4 p 50.21 173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.793 HD22 ' NH1' ' A' ' 99' ' ' ARG . 36.9 mt -102.07 137.49 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 30.2 mt-10 -90.41 117.97 29.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.5 mm? -57.28 -178.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 22' ' ' ALA . 59.9 p -148.72 163.55 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -48.02 -22.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 20' ' ' THR . . . -88.68 -64.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.0 mm-40 -53.31 -46.18 69.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.8 mt -42.56 -41.7 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.3 -45.29 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.81 HG21 HD11 ' A' ' 98' ' ' LEU . 12.5 m -62.71 -48.46 79.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.43 -34.29 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.23 -39.35 48.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.69 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.691 HG22 HD12 ' A' ' 70' ' ' LEU . 49.2 t -66.39 -40.12 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -54.69 -36.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -65.86 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.459 HG13 ' OE1' ' A' ' 66' ' ' GLU . 46.8 t -63.51 -46.22 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LEU . 12.5 m0 -62.12 -56.29 20.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.028 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -53.06 -59.34 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -49.12 -43.5 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.413 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 19.4 mt -69.84 -71.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 53' ' ' SER . 14.1 mt -61.45 110.89 3.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 -71.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' PRO . 8.6 mttm -39.36 -43.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 67.3 t -54.73 113.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -30.36 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -146.61 151.41 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.437 HG22 HG21 ' A' ' 48' ' ' THR . 2.2 t -115.67 127.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -172.53 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -78.04 -20.8 51.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -13.03 38.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.437 HG21 HG22 ' A' ' 44' ' ' VAL . 1.3 m -65.59 128.33 35.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 t70 -105.15 120.54 41.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 33.9 t80 -45.67 -30.23 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 26.1 m-85 -85.99 -62.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 1.3 mmtt -40.57 -33.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.82 ' HB3' HD22 ' A' ' 38' ' ' LEU . 9.0 m -60.99 -49.01 79.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 130.29 41.71 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -95.11 130.69 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 58' ' ' VAL . . . -89.04 164.72 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.2 m -52.9 -16.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -73.9 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.584 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -48.97 -33.15 10.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 64' ' ' VAL . 75.9 t -49.9 -44.03 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.572 HG22 ' OD1' ' A' ' 78' ' ' ASN . 18.0 t -75.02 -36.22 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -58.79 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.43 HD12 HG23 ' A' ' 67' ' ' VAL . 3.8 tp -51.48 -49.82 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 60' ' ' VAL . 54.6 t -59.91 -42.9 90.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.01 -41.03 91.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' OE1' HG13 ' A' ' 33' ' ' VAL . 1.2 mm-40 -62.23 -56.79 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' A' ' 74' ' ' LEU . 87.4 t -57.43 -22.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -64.91 -44.15 90.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.08 -20.97 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 30' ' ' VAL . 13.4 mt -68.74 -47.89 65.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.3 t -98.86 1.95 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' LYS . 14.1 t0 61.25 73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 87.58 41.68 6.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.729 ' CD2' HG12 ' A' ' 67' ' ' VAL . 58.9 tp -54.58 143.35 24.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.7 60.93 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 64' ' ' VAL . 12.3 tp -108.15 160.97 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.51 152.31 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.572 ' OD1' HG22 ' A' ' 61' ' ' VAL . 66.9 m-80 -48.1 -32.05 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.53 -42.82 99.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.429 ' OD2' HD12 ' A' ' 76' ' ' LEU . 64.4 m-20 -53.18 -45.56 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 85.8 t -61.98 -42.75 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 60' ' ' VAL . 19.7 m-30 -66.19 -18.08 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.79 -44.42 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -116.69 86.37 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.5 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 60.8 p -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 48' ' ' THR . 18.1 p -82.25 143.99 30.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 12.7 t80 -53.94 -58.54 6.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -39.82 -55.81 2.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -49.49 74.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.444 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 77.7 t80 -52.7 -58.83 5.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.456 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 18.6 mm -42.83 -52.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -48.98 -48.77 42.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -63.0 -48.77 77.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 93' ' ' LEU . 4.4 tp -54.76 -59.46 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG1' ' NE ' ' A' ' 99' ' ' ARG . 52.5 t -45.57 -50.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 3.8 mtt-85 -51.87 -50.61 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' HE3' HD12 ' A' ' 76' ' ' LEU . 49.5 mttm -62.68 -44.01 97.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 26' ' ' THR . 8.2 mt -54.55 -58.42 7.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.793 ' NH1' HD22 ' A' ' 17' ' ' LEU . 26.5 mtt180 -50.66 -48.84 58.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.56 74.8 0.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 t0 59.24 167.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -133.57 102.2 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.96 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -122.66 73.48 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.66 98.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.38 -151.58 14.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.08 19.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.7 m -148.78 160.54 43.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.0 t -170.65 116.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -164.19 151.73 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.055 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.77 160.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.94 -179.79 36.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t 55.49 88.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 -54.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.57 -119.68 0.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 8' ' ' PHE . 5.0 p90 -135.37 128.69 32.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.88 161.77 30.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.6 mttt 67.43 122.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.84 160.9 18.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.82 89.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 0.718 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.89 110.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 146.98 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.19 139.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.8 t -126.35 136.56 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.701 HD22 ' NH1' ' A' ' 99' ' ' ARG . 26.5 mt -63.95 137.39 57.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 4.0 tt0 -88.4 121.99 31.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 95' ' ' VAL . 3.5 mm? -66.48 -176.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.2 p -145.98 165.07 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.26 -37.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.63 -62.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB3' HD12 ' A' ' 19' ' ' LEU . 4.6 mt-10 -42.7 -48.07 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 24' ' ' LEU . 12.6 mt -47.33 -51.54 19.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.36 -50.98 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.849 HG21 HD13 ' A' ' 98' ' ' LEU . 5.4 m -58.17 -45.46 87.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.67 75.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.75 -32.99 70.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.44 -31.92 73.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.613 HG21 HD22 ' A' ' 94' ' ' LEU . 13.9 t -73.89 -40.95 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.8 ttm180 -53.05 -39.99 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -61.04 -44.35 97.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' A' ' 66' ' ' GLU . 30.5 t -55.85 -33.16 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 87' ' ' PHE . 10.9 m0 -74.87 -43.17 55.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.51 -57.83 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CG ' ' HA ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.69 -25.43 27.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 32.8 mt -87.45 -38.59 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -104.38 104.68 46.01 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.445 ' C ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -65.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -39.6 -30.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' C ' ' A' ' 39' ' ' PRO . 72.9 t -73.31 107.94 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -35.73 62.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.61 146.81 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.84 150.3 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 -177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.19 2.06 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -106.81 -18.67 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.22 134.68 49.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.5 OUTLIER -101.07 120.83 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.406 ' CE2' ' HB1' ' A' ' 55' ' ' ALA . 13.8 t80 -37.95 -46.54 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 32.4 m-85 -71.82 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 mmpt? -40.17 -43.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.584 ' CB ' HD13 ' A' ' 38' ' ' LEU . 1.2 m -55.18 -63.47 1.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.86 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -92.54 121.97 34.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.21 -166.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 p -81.28 -10.65 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.27 -37.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -39.6 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.802 ' O ' HG23 ' A' ' 64' ' ' VAL . 85.4 t -49.33 -52.45 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.75 -38.08 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.28 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 67' ' ' VAL . 6.6 tp -52.38 -46.42 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 60' ' ' VAL . 92.8 t -61.89 -35.69 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.63 -46.69 36.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.631 ' HB2' HG11 ' A' ' 33' ' ' VAL . 2.2 mt-10 -54.44 -58.48 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.712 HG12 ' CD2' ' A' ' 74' ' ' LEU . 92.9 t -53.16 -35.61 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.14 -35.08 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.81 -32.17 52.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 70' ' ' LEU . 19.6 mt -56.14 -45.1 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.529 ' HB2' HD21 ' A' ' 98' ' ' LEU . 3.5 t -100.32 -13.37 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.3 t70 61.59 61.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.18 33.38 1.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.712 ' CD2' HG12 ' A' ' 67' ' ' VAL . 55.9 tp -62.28 150.78 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' H ' HD12 ' A' ' 74' ' ' LEU . 33.1 mt-10 -96.16 69.37 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 64' ' ' VAL . 16.1 tp -111.28 160.34 17.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 1.9 pt-20 -144.62 146.82 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -47.18 -33.59 5.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' CD ' ' CD ' ' A' ' 77' ' ' GLU . 3.8 pt-20 -62.01 -38.97 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 77' ' ' GLU . 69.8 m-20 -56.15 -44.25 79.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.38 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -64.96 -14.9 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -45.07 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -114.63 83.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.495 ' HG ' ' CG ' ' A' ' 49' ' ' ASP . 60.9 p -73.32 -31.76 64.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.665 HG23 ' OD1' ' A' ' 49' ' ' ASP . 3.2 p -85.08 130.4 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 86.5 t80 -46.39 -54.97 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.37 -61.18 2.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -57.51 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 78.3 t80 -41.48 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.2 mm -42.49 -57.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.17 -48.59 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 30' ' ' VAL . 1.4 tp -57.61 -57.37 13.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 19' ' ' LEU . 78.5 t -45.18 -41.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.444 ' HG3' HD11 ' A' ' 17' ' ' LEU . 1.2 mtt85 -59.96 -50.56 73.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -62.84 -46.39 88.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.849 HD13 HG21 ' A' ' 26' ' ' THR . 17.5 mt -57.39 -55.68 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.701 ' NH1' HD22 ' A' ' 17' ' ' LEU . 88.0 mtt180 -48.8 -50.27 35.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.09 118.12 2.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -174.32 166.23 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.4 t70 61.84 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 165.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 137.26 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.9 m -130.92 136.77 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.72 120.39 22.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.34 6.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -109.9 116.32 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 110.009 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.9 167.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -83.67 166.74 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 120.97 32.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.03 157.75 52.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -135.11 146.63 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 96.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.61 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -93.32 157.82 16.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -91.24 -53.01 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -166.87 157.97 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.26 153.38 6.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.99 152.84 49.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.84 110.36 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.25 158.0 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -54.72 142.2 29.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.536 HG13 ' CG ' ' A' ' 92' ' ' GLN . 87.1 t -129.42 143.93 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 96' ' ' ARG . 41.7 mt -96.75 135.2 39.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.54 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.8 mm? -55.77 169.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.721 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.24 164.38 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -34.31 -46.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.45 -68.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' THR . 3.4 mt-10 -43.96 -51.52 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.6 mp -40.01 -55.32 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 21' ' ' GLU . 76.5 t -46.35 -43.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.94 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.8 m -76.5 -42.24 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.06 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.7 mm-40 -85.64 -38.18 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -62.71 -38.93 92.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG12 ' HE1' ' A' ' 87' ' ' PHE . 52.9 t -67.56 -43.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -53.75 -38.99 64.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 t -64.61 -31.95 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 29' ' ' ALA . 47.2 t -62.61 -46.7 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -62.99 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.02 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.604 ' NE2' HG12 ' A' ' 41' ' ' VAL . 9.8 mm-40 -52.68 -57.28 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -50.03 -44.83 51.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.45 -72.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 53' ' ' SER . 7.4 mt -64.91 112.25 7.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.41 -42.65 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.604 HG12 ' NE2' ' A' ' 35' ' ' GLN . 71.3 t -57.59 114.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.12 -32.98 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.2 tt0 -136.14 140.43 43.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 48' ' ' THR . 2.5 t -114.12 106.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -99.8 -172.12 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -12.46 59.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -101.25 -2.97 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.517 HG21 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -73.81 116.09 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.44 124.02 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.9 t80 -52.67 -22.77 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 29.2 m-85 -91.81 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PHE . 15.2 mtmt -39.35 -34.11 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.859 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.2 m -58.48 -70.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 42.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -94.75 130.53 41.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.05 -163.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.4 -15.66 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -85.74 -36.62 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -34.5 67.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.88 ' O ' HG23 ' A' ' 64' ' ' VAL . 88.4 t -54.03 -50.96 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' A' ' 65' ' ' GLU . 24.8 t -70.13 -35.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -57.63 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.63 -50.01 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' VAL . 43.2 t -61.58 -47.07 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.612 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.8 mm-40 -60.79 -40.8 93.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.06 -57.28 13.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.776 HG12 ' CD2' ' A' ' 74' ' ' LEU . 67.3 t -59.14 -22.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -63.29 -42.15 99.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.51 -25.59 63.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 34.9 mt -61.95 -51.27 68.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.444 ' HB2' HD21 ' A' ' 98' ' ' LEU . 3.8 t -95.13 -3.16 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 17.9 t0 62.27 67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 100.43 39.59 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.776 ' CD2' HG12 ' A' ' 67' ' ' VAL . 57.7 tp -57.68 138.8 55.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.81 63.18 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.788 HD23 HG13 ' A' ' 64' ' ' VAL . 9.9 tp -109.69 149.6 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -137.23 153.96 50.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 44.4 m-80 -47.32 -31.28 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -48.45 -51.27 27.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG21 ' CG2' ' A' ' 64' ' ' VAL . 57.5 t -55.99 -43.99 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 78' ' ' ASN . 17.8 m-30 -67.83 -24.46 65.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mmt -84.37 -42.83 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.94 84.11 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 80.9 p -72.51 -35.28 68.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 48' ' ' THR . 14.6 p -82.96 144.13 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.71 ' HE1' HG12 ' A' ' 30' ' ' VAL . 19.7 t80 -57.02 -55.34 35.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.37 -58.22 3.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -59.81 -51.54 69.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -50.15 -59.33 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 25.1 mm -40.26 -56.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.536 ' CG ' HG13 ' A' ' 16' ' ' VAL . 1.2 mp0 -47.07 -49.87 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -62.1 -46.7 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.587 HD13 HG11 ' A' ' 67' ' ' VAL . 2.8 tp -58.18 -59.67 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 19' ' ' LEU . 71.2 t -44.44 -41.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.554 ' HG3' HD12 ' A' ' 17' ' ' LEU . 17.7 mtt-85 -61.78 -52.71 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -60.62 -44.92 95.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.94 ' CD1' HG21 ' A' ' 26' ' ' THR . 15.9 mt -59.35 -54.64 44.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -54.01 -47.85 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.92 103.87 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.09 164.59 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.1 144.61 49.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.98 147.13 39.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -135.38 158.27 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -46.8 136.25 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.054 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.58 -158.98 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 134.77 18.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t -176.54 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.9 123.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 p -178.87 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -124.13 87.35 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.09 101.27 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.28 81.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -74.51 167.35 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.95 114.67 1.66 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 54.82 171.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -94.25 103.53 15.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -136.14 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.61 -98.48 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.74 111.56 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.67 175.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 p -102.69 72.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m 63.9 109.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.51 138.53 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' HG3' ' A' ' 96' ' ' ARG . 19.9 mt -89.03 127.45 35.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 10.0 pt-20 -92.36 116.06 28.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.757 ' HB3' HD12 ' A' ' 24' ' ' LEU . 3.0 mm? -52.48 166.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.752 ' C ' HD13 ' A' ' 24' ' ' LEU . 7.1 p -151.3 161.92 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -33.95 -42.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -70.48 -67.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' OE2' HD12 ' A' ' 98' ' ' LEU . 5.5 mm-40 -48.21 -49.77 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.9 mp -40.27 -53.38 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 21' ' ' GLU . 54.7 t -48.64 -43.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.72 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.4 m -75.9 -41.27 52.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.11 -21.17 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mm-40 -88.03 -36.9 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.11 -37.79 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 HG22 ' A' ' 67' ' ' VAL . 15.0 t -67.14 -40.84 86.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -55.11 -43.12 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -59.04 -35.68 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.7 t -59.9 -50.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.506 ' CH2' ' HB2' ' A' ' 50' ' ' PHE . 11.8 m0 -56.32 -60.01 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.583 ' NE2' HG12 ' A' ' 41' ' ' VAL . 2.6 mm-40 -52.3 -57.71 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.9 -40.3 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.408 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 68.4 mt -76.64 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 53' ' ' SER . 19.6 mt -61.13 111.13 3.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -41.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG12 ' NE2' ' A' ' 35' ' ' GLN . 75.9 t -59.28 115.61 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -27.14 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 2.2 tt0 -140.82 139.19 34.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 t -112.62 114.0 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 48' ' ' THR . 11.4 pm0 -103.04 -177.17 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.2 -19.1 54.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.8 t -97.81 -0.83 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.406 ' CB ' ' HG2' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -75.89 121.41 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.499 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -88.98 125.81 35.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 39.5 t80 -54.81 -35.73 64.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 20.9 m-85 -76.7 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HG3' ' CB ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -41.85 -46.88 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.758 ' HB3' HD22 ' A' ' 38' ' ' LEU . 20.9 m -44.34 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.1 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.99 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.46 -163.95 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 p -81.2 -13.58 58.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 m -88.69 -42.27 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD2' ' CG2' ' A' ' 37' ' ' ILE . 1.1 m-20 -51.17 -44.18 61.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.874 ' O ' HG23 ' A' ' 64' ' ' VAL . 55.5 t -46.06 -51.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 t -66.75 -39.18 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -64.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 34' ' ' TRP . 3.3 tp -47.02 -46.96 22.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 60' ' ' VAL . 58.2 t -63.12 -49.06 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 2.1 mm-40 -58.64 -45.77 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.88 -55.58 32.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.643 HG22 HG22 ' A' ' 30' ' ' VAL . 40.0 t -57.24 -23.73 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -65.97 -44.3 85.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.79 -16.75 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 70' ' ' LEU . 16.2 mt -73.33 -46.55 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.502 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -100.96 6.3 43.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 55.9 t0 61.64 79.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 73.76 44.49 31.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.571 ' CD2' HG12 ' A' ' 67' ' ' VAL . 40.0 tp -51.55 160.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 7.1 pt-20 -93.27 61.5 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' A' ' 64' ' ' VAL . 15.1 tp -108.71 160.5 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.79 155.21 38.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 66.9 m-80 -50.97 -31.31 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.01 -47.8 71.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.84 -43.94 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.413 ' CE1' HG11 ' A' ' 60' ' ' VAL . 14.1 m-30 -62.75 -13.32 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -45.52 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -115.81 84.79 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.551 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 58.0 p -74.8 -31.32 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.433 HG23 ' OD1' ' A' ' 49' ' ' ASP . 5.3 p -84.43 144.82 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.464 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 46.3 t80 -55.6 -58.35 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.52 -54.11 6.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -61.47 -50.27 73.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.438 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 82.1 t80 -54.06 -55.83 23.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 31.3 mm -42.86 -55.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -48.22 -50.92 27.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.64 -47.86 81.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 67' ' ' VAL . 2.6 tp -56.88 -62.72 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG22 ' OE1' ' A' ' 23' ' ' GLU . 70.6 t -39.78 -50.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -51.53 -51.58 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 93' ' ' LEU . 12.2 mttp -60.83 -26.01 67.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.72 ' CD1' HG21 ' A' ' 26' ' ' THR . 8.7 mt -76.01 -50.35 15.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -49.4 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.61 -108.21 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 102' ' ' ASP . 48.8 t0 -167.63 124.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 101' ' ' ASP . 1.0 OUTLIER 43.54 91.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.23 141.15 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -128.21 -44.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m 72.32 102.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.42 21.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 97.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.5 m -101.74 -53.91 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 m 40.84 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -131.32 95.52 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -123.42 154.72 38.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -143.2 15.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -154.93 114.69 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.944 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.17 101.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 108.33 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 48.64 93.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -148.58 116.72 6.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -152.37 -63.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.01 -151.88 8.43 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.26 74.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.78 68.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.06 85.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -176.47 147.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.59 141.22 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD12 ' HG3' ' A' ' 96' ' ' ARG . 12.3 mt -103.22 127.45 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.82 130.32 36.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.5 mm? -60.77 178.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' ALA . 49.1 p -146.77 159.03 44.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.85 -29.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.45 -62.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 10.5 mm-40 -47.9 -47.03 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 24' ' ' LEU . 10.1 mt -46.85 -40.69 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 66.9 t -70.98 -32.76 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.696 HG21 HD13 ' A' ' 98' ' ' LEU . 1.1 m -74.24 -44.28 53.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.36 82.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.8 pt-20 -56.07 -35.24 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . -61.02 -38.99 88.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.671 HG21 HD22 ' A' ' 94' ' ' LEU . 40.6 t -67.08 -43.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 9.5 ttm180 -49.22 -41.98 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -58.99 -35.36 73.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.3 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.409 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 10.6 m0 -62.6 -53.49 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -58.64 6.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -50.57 -48.18 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 mt -63.3 -74.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 18.9 mt -59.81 110.2 2.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -71.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 42' ' ' LEU . 10.2 mttm -40.14 -40.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 92.8 t -62.76 120.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.62 -33.21 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.24 141.03 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG22 HG21 ' A' ' 48' ' ' THR . 2.5 t -118.65 115.38 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.12 -171.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -75.51 -20.31 58.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.33 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.475 HG21 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.93 115.66 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.02 114.21 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.3 t80 -41.74 -28.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 21.4 m-85 -88.14 -67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -41.66 -29.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PHE . 4.8 p -62.61 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.65 40.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -92.01 130.14 37.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.01 -164.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -82.46 -8.75 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -92.12 -42.96 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -52.49 -37.73 57.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 64' ' ' VAL . 74.7 t -50.23 -46.52 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 65' ' ' GLU . 27.6 t -73.06 -35.07 47.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.0 tp -47.18 -46.69 23.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.957 HG13 HD23 ' A' ' 76' ' ' LEU . 66.6 t -66.51 -55.82 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.6 mm-40 -50.56 -39.43 49.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.46 -55.69 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.771 HG11 HD13 ' A' ' 94' ' ' LEU . 48.6 t -58.1 -20.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -66.0 -41.79 90.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.06 -17.83 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 70' ' ' LEU . 13.0 mt -70.18 -48.96 54.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 98' ' ' LEU . 1.2 t -103.85 5.76 36.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 53.9 t0 60.97 89.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.59 38.82 68.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.759 ' CD2' HG12 ' A' ' 67' ' ' VAL . 58.8 tp -50.21 135.03 21.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -69.68 62.22 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.957 HD23 HG13 ' A' ' 64' ' ' VAL . 9.3 tp -113.08 151.48 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -138.85 157.28 46.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -49.53 -33.21 14.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.9 90.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.52 ' OD1' HD11 ' A' ' 93' ' ' LEU . 57.6 m-20 -50.29 -42.29 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' ' CG2' ' A' ' 64' ' ' VAL . 87.9 t -65.22 -45.75 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.501 ' CE1' HG11 ' A' ' 60' ' ' VAL . 11.6 m-30 -62.77 -19.66 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.8 tpp -89.43 -44.3 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.79 91.5 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.522 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 97.9 p -78.29 -31.52 48.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.0 p -87.87 143.14 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 65.7 t80 -55.24 -51.03 67.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.49 -57.37 7.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -61.18 -46.43 90.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -55.2 -56.72 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.678 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 23.4 mm -40.8 -54.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -50.14 -52.78 32.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.63 -47.9 84.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.771 HD13 HG11 ' A' ' 67' ' ' VAL . 3.4 tp -56.21 -62.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 91' ' ' ILE . 77.2 t -42.22 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.767 ' HG3' HD12 ' A' ' 17' ' ' LEU . 28.8 mtt-85 -51.46 -47.6 63.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' HE2' HD11 ' A' ' 93' ' ' LEU . 12.0 mttp -65.2 -24.76 67.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 26' ' ' THR . 31.5 mt -78.92 -52.05 8.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -53.45 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -53.83 -77.0 0.16 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.08 113.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -101.12 136.79 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -119.09 71.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -125.93 174.18 8.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.71 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.67 -138.81 5.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 63.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.83 167.26 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 141.07 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.57 142.98 50.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 p -60.83 143.74 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.23 -157.59 8.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.06 135.71 51.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -53.51 100.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.63 150.11 5.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -101.19 70.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.65 131.4 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.15 149.63 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.02 130.17 9.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.47 133.32 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.69 105.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m 40.2 88.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.0 p -179.14 156.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.84 137.63 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD12 ' HG3' ' A' ' 96' ' ' ARG . 28.7 mt -76.19 173.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.66 124.91 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.4 mm? -60.66 167.13 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.778 ' C ' HD13 ' A' ' 24' ' ' LEU . 8.5 p -151.19 163.0 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -34.82 -40.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.74 -67.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 95' ' ' VAL . 5.5 mm-40 -48.85 -49.09 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 19' ' ' LEU . 7.3 mp -40.01 -53.27 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.73 -43.92 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.775 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.2 m -75.01 -42.53 57.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.39 -23.79 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.96 -38.33 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.559 HG21 HD22 ' A' ' 94' ' ' LEU . 18.9 t -65.24 -41.47 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 44' ' ' VAL . 7.8 ttp85 -55.96 -42.28 76.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -59.12 -34.47 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.2 t -60.46 -53.7 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -52.15 -60.51 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.75 ' OE1' HG12 ' A' ' 41' ' ' VAL . 18.5 mm100 -52.06 -51.08 59.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.59 -42.64 71.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.0 mt -72.1 -68.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.8 mt -67.16 112.34 9.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 -69.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.79 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' PRO . 2.0 mttt -38.82 -43.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.75 HG12 ' OE1' ' A' ' 35' ' ' GLN . 75.2 t -53.54 112.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.5 -33.09 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -144.3 153.38 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 2.2 t -115.11 127.42 72.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -130.6 -178.02 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.42 -23.41 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -29.08 32.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.402 HG21 HG22 ' A' ' 44' ' ' VAL . 3.0 m -54.21 119.89 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.574 ' CG ' ' HG ' ' A' ' 85' ' ' SER . 0.9 OUTLIER -102.71 111.81 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -33.44 -39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 25.9 m-85 -76.85 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -38.83 -40.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.834 ' HB3' HD22 ' A' ' 38' ' ' LEU . 5.5 m -55.61 -71.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.48 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.25 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.13 -165.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -80.83 -12.87 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -88.66 -39.78 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -36.47 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.88 ' O ' HG23 ' A' ' 64' ' ' VAL . 53.3 t -51.8 -49.72 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.594 HG12 ' HG3' ' A' ' 65' ' ' GLU . 22.8 t -72.69 -35.32 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -55.83 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.404 HD12 HG23 ' A' ' 67' ' ' VAL . 3.7 tp -55.58 -49.91 71.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' VAL . 44.6 t -61.82 -43.82 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.594 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.7 mm-40 -63.98 -40.69 96.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' OE2' HG13 ' A' ' 33' ' ' VAL . 2.9 mt-10 -62.78 -56.45 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.656 HG12 ' CD2' ' A' ' 74' ' ' LEU . 81.2 t -59.71 -18.16 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HZ3' HG12 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -67.42 -46.61 72.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.41 -18.88 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.6 mt -67.93 -48.06 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -105.85 9.74 32.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LYS . 45.3 t0 61.35 86.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.06 43.08 91.61 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.656 ' CD2' HG12 ' A' ' 67' ' ' VAL . 50.7 tp -49.12 142.87 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -74.15 61.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.768 HD11 ' OD2' ' A' ' 80' ' ' ASP . 12.2 tp -110.19 150.61 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.7 pt-20 -138.22 150.92 47.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -44.07 -31.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.784 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -48.82 -46.81 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.731 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.5 t -63.38 -50.3 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.83 -26.86 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 15.2 tpt -83.02 -43.04 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.85 96.29 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HG ' ' CG ' ' A' ' 49' ' ' ASP . 96.6 p -83.42 -29.11 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.476 HG23 ' OD1' ' A' ' 49' ' ' ASP . 27.3 p -87.7 140.18 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 31' ' ' ARG . 40.1 t80 -50.76 -52.12 43.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.39 -58.13 6.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.38 -46.39 88.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.13 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 95' ' ' VAL . 18.9 mm -40.73 -51.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -49.77 -48.18 50.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.08 -47.42 80.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' N ' HD23 ' A' ' 93' ' ' LEU . 3.7 tp -57.08 -56.02 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.591 HG22 ' OE1' ' A' ' 23' ' ' GLU . 71.6 t -47.64 -43.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.551 ' HG3' HD12 ' A' ' 17' ' ' LEU . 39.2 mtt180 -59.57 -51.82 68.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HE3' HD12 ' A' ' 76' ' ' LEU . 53.2 mttm -62.19 -46.43 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.775 ' CD1' HG21 ' A' ' 26' ' ' THR . 40.8 mt -53.12 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.437 ' NH1' HD22 ' A' ' 17' ' ' LEU . 81.0 mtt180 -53.84 -46.41 71.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.09 -85.75 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -42.32 122.4 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 174.21 143.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.2 166.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.55 -59.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.0 t 62.27 82.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.9 -151.54 29.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.75 160.45 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.42 141.07 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.044 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.941 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -58.3 -58.52 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -79.03 105.11 10.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.45 69.7 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -153.95 159.24 41.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -168.17 121.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.96 -177.72 37.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -49.66 145.03 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 60.3 t80 -58.33 93.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.13 136.53 41.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.76 124.45 1.15 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 58.34 172.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . 79.36 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -116.51 96.1 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.1 p 175.01 103.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG13 ' CG ' ' A' ' 92' ' ' GLN . 57.8 t -130.02 142.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 17' ' ' LEU . 14.2 mt -87.41 123.9 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -90.59 119.44 30.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.9 mm? -56.99 170.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.719 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 p -153.48 163.92 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -33.88 -46.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.46 -68.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' THR . 4.9 mt-10 -43.32 -51.27 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' A' ' 19' ' ' LEU . 6.5 mp -39.15 -56.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.76 -44.86 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.873 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -75.13 -39.97 60.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.407 ' HB2' HD12 ' A' ' 19' ' ' LEU . . . -64.89 -21.75 66.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.2 mm-40 -87.42 -35.63 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -64.94 -29.73 70.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.731 HG21 ' CD2' ' A' ' 94' ' ' LEU . 7.9 t -75.6 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.63 -38.16 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -63.81 -29.79 70.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.4 t -65.72 -51.9 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.55 ' CH2' ' CA ' ' A' ' 87' ' ' PHE . 11.3 m0 -53.37 -60.51 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.558 ' NE2' HG12 ' A' ' 41' ' ' VAL . 5.5 mm-40 -48.18 -58.57 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.97 -41.2 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.3 mt -71.85 -71.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.7 mt -64.39 111.95 6.68 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -40.06 -42.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.558 HG12 ' NE2' ' A' ' 35' ' ' GLN . 70.1 t -57.85 112.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.84 -30.27 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 148.35 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.52 126.09 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.59 -174.43 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -75.75 -19.0 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -88.89 -15.05 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -66.71 116.7 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD1' HG23 ' A' ' 86' ' ' THR . 0.4 OUTLIER -90.31 113.42 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.427 ' CE2' HG11 ' A' ' 81' ' ' VAL . 31.7 t80 -38.59 -33.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' SER . 28.9 m-85 -84.67 -67.58 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PHE . 23.7 mtmt -39.63 -31.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.634 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.3 m -61.05 -72.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.38 41.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.89 134.5 40.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.17 -160.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.7 m -85.76 -9.36 57.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -93.05 -31.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.9 92.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 64' ' ' VAL . 43.8 t -47.0 -52.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.488 HG12 ' HG3' ' A' ' 65' ' ' GLU . 17.6 t -67.98 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -58.84 -56.79 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.4 tp -54.03 -51.15 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 60' ' ' VAL . 36.5 t -59.91 -43.26 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.5 mm-40 -62.8 -42.62 99.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HB2' HG11 ' A' ' 33' ' ' VAL . 1.7 mt-10 -62.05 -54.04 47.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.791 HG12 ' CD2' ' A' ' 74' ' ' LEU . 58.6 t -60.42 -22.47 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HD2' HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -64.63 -39.95 94.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.84 -19.4 60.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.4 mt -69.96 -49.09 55.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.436 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -99.42 -0.23 41.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.335 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.2 t70 62.37 80.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 82.98 38.83 10.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.791 ' CD2' HG12 ' A' ' 67' ' ' VAL . 59.9 tp -55.52 129.51 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.48 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.882 HD23 HG13 ' A' ' 64' ' ' VAL . 9.1 tp -117.32 143.75 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.69 168.88 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.453 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 5.6 m-20 -62.83 -36.22 82.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -59.52 -48.63 80.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' GLU . 46.6 m-20 -38.96 -33.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' A' ' 50' ' ' PHE . 31.7 t -73.01 -53.63 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 36.3 m-85 -56.07 -17.05 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -47.2 7.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.519 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -111.76 65.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.0 p -53.95 -40.84 67.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.51 HG23 ' OD1' ' A' ' 49' ' ' ASP . 5.0 p -79.17 136.3 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 91' ' ' ILE . 58.7 t80 -53.88 -46.87 71.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -50.0 -57.05 10.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -61.08 -45.36 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.519 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 72.9 t80 -53.75 -54.15 42.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 87' ' ' PHE . 23.7 mm -43.15 -59.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.437 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.2 mp0 -45.0 -49.58 11.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.5 HD21 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -61.83 -46.21 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.731 ' CD2' HG21 ' A' ' 30' ' ' VAL . 3.1 tp -59.75 -60.34 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 19' ' ' LEU . 81.8 t -44.47 -37.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -63.95 -49.47 72.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.466 ' HE2' HD11 ' A' ' 93' ' ' LEU . 10.5 mttp -64.75 -29.91 70.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.873 ' CD1' HG21 ' A' ' 26' ' ' THR . 14.6 mt -72.41 -53.56 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -57.86 -43.27 85.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.72 98.05 0.22 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -79.47 54.85 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -110.08 95.63 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.88 157.27 46.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -82.01 119.08 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.8 m -65.8 105.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.63 89.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.25 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.4 p -179.29 140.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.12 96.43 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.93 126.78 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.8 115.35 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.76 175.68 19.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 46.51 84.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.936 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -114.03 107.14 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.73 -149.62 5.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.85 92.34 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 43.57 90.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.32 154.82 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.27 -130.62 2.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.53 82.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 174.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 p -138.45 124.12 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 p -177.66 158.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.948 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.03 142.63 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD22 ' NH1' ' A' ' 99' ' ' ARG . 22.8 mt -75.35 139.7 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 1.9 tt0 -98.03 126.74 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' CD1' HG21 ' A' ' 95' ' ' VAL . 2.8 mm? -64.74 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -145.99 165.1 29.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -34.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -61.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -45.09 -49.49 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 24' ' ' LEU . 13.1 mt -42.28 -50.27 4.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.79 -50.39 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.717 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.9 m -58.21 -45.18 88.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -33.51 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -37.54 64.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -59.14 -37.96 78.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG21 HD22 ' A' ' 94' ' ' LEU . 24.4 t -72.13 -45.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.99 -40.62 61.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -60.31 -35.12 74.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.3 t -62.48 -44.52 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 11.2 m0 -59.2 -61.33 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' NE2' HG12 ' A' ' 41' ' ' VAL . 5.8 mm-40 -48.8 -50.08 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -56.57 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.431 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 10.8 mt -73.02 -71.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.854 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.9 mt -64.64 111.51 5.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -71.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.3 mmmt -39.44 -43.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 72.8 t -55.56 109.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -35.86 39.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -137.49 149.86 47.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 122.04 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -119.51 -175.86 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -74.62 -37.69 62.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 86' ' ' THR . 1.0 OUTLIER -43.35 128.67 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 86' ' ' THR . 0.4 OUTLIER -100.23 118.29 36.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 50.1 t80 -48.15 -22.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.2 m-85 -91.04 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -37.65 -42.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.854 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.6 m -47.27 -52.34 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . 134.22 42.27 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -98.34 136.38 38.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.32 167.52 11.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -54.82 -15.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -75.6 -58.68 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.56 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -47.4 -32.69 5.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.76 ' O ' HG23 ' A' ' 64' ' ' VAL . 67.7 t -50.38 -45.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG22 ' OD1' ' A' ' 78' ' ' ASN . 19.1 t -73.87 -36.67 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -56.72 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 67' ' ' VAL . 4.1 tp -51.97 -55.81 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.839 HG13 HD23 ' A' ' 76' ' ' LEU . 45.2 t -56.02 -46.87 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' A' ' 61' ' ' VAL . 1.8 mm-40 -60.29 -39.89 88.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.56 -55.86 17.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.72 HG12 ' CD2' ' A' ' 74' ' ' LEU . 60.4 t -58.58 -20.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -65.38 -44.06 88.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -22.89 63.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.5 mt -66.22 -49.97 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 1.8 t -95.94 -0.79 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.344 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.4 t0 62.46 70.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 92.36 41.23 4.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.72 ' CD2' HG12 ' A' ' 67' ' ' VAL . 65.2 tp -56.24 131.43 47.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.95 59.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.839 HD23 HG13 ' A' ' 64' ' ' VAL . 12.5 tp -103.24 158.7 16.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 1.6 pt-20 -144.77 149.08 34.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.545 ' OD1' HG22 ' A' ' 61' ' ' VAL . 66.4 m-80 -44.81 -30.87 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.38 -43.63 98.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.625 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -48.23 -47.33 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.625 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.7 t -61.5 -51.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.511 ' CE1' HG11 ' A' ' 60' ' ' VAL . 13.6 m-30 -55.49 -27.87 51.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.99 -40.82 16.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.72 93.44 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.7 p -77.98 -55.85 4.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 49' ' ' ASP . 67.9 p -65.84 146.44 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.745 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 69.5 t80 -56.0 -53.14 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -42.34 -57.08 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.1 -56.1 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' ILE . 59.0 t80 -45.09 -59.67 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.745 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 30.0 mm -39.93 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 92' ' ' GLN . 2.0 mp0 -46.63 -44.07 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -68.03 -45.99 72.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 30' ' ' VAL . 4.4 tp -59.84 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 19' ' ' LEU . 77.6 t -46.36 -41.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.412 ' HE ' HD11 ' A' ' 17' ' ' LEU . 3.9 mtt180 -59.64 -46.96 87.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.414 ' HE2' HD11 ' A' ' 93' ' ' LEU . 13.9 mttp -67.78 -36.26 80.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 26' ' ' THR . 15.7 mt -67.63 -50.39 58.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.812 ' NH1' HD22 ' A' ' 17' ' ' LEU . 87.9 mtt180 -56.1 -46.91 78.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -109.3 -140.78 9.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.65 41.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -113.68 114.47 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.25 121.5 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.98 166.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.03 79.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.55 70.98 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.8 p -84.41 137.87 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 110.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 64.73 143.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -144.44 -58.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.45 -140.81 15.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.9 99.6 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -122.55 127.46 49.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.44 -174.92 22.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.51 139.85 41.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 49.52 99.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -158.03 -62.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.58 -129.31 1.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.45 75.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.14 154.88 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.85 99.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -129.1 166.8 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.594 HG23 ' CG ' ' A' ' 92' ' ' GLN . 2.8 p -133.21 140.64 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' ' 96' ' ' ARG . 78.3 mt -101.13 150.59 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.14 120.14 31.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.5 mm? -64.85 162.23 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.766 ' C ' HD13 ' A' ' 24' ' ' LEU . 31.0 p -152.58 162.94 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 tt0 -34.49 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -69.15 -70.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 3.9 mm-40 -53.13 -46.87 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 20' ' ' THR . 6.0 mp -40.56 -50.93 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 21' ' ' GLU . 24.2 t -51.15 -42.97 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.3 m -77.72 -42.11 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -62.78 -24.16 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 6.8 mm-40 -86.85 -37.58 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -68.85 -33.75 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 26' ' ' THR . 96.8 t -71.96 -42.18 68.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.582 ' HG3' ' CE2' ' A' ' 87' ' ' PHE . 7.9 ttm180 -54.16 -33.85 58.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.56 -29.25 62.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 29' ' ' ALA . 67.0 t -65.6 -47.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.504 ' CH2' ' HA ' ' A' ' 87' ' ' PHE . 10.8 m0 -59.16 -59.94 4.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -49.72 -58.66 4.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -46.2 -48.67 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.93 -72.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 53' ' ' SER . 10.5 mt -61.82 110.75 3.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.98 -70.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' PRO . 7.6 mmpt? -38.61 -43.52 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 59.5 t -52.32 111.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -26.27 27.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -151.39 151.88 32.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG22 HG21 ' A' ' 48' ' ' THR . 2.2 t -114.45 110.46 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -96.43 -174.64 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.49 -19.97 48.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 25.1 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 48' ' ' THR . 0.7 OUTLIER -90.94 102.66 15.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.14 120.33 13.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 62.8 t80 -57.96 -17.67 18.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.8 m-30 -93.45 -66.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -39.82 -41.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.576 ' HB3' HD22 ' A' ' 38' ' ' LEU . 3.7 m -45.12 -72.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.29 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.449 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -94.98 137.93 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.01 -162.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -82.3 -15.04 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.17 -37.39 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.24 -37.93 70.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 64' ' ' VAL . 82.0 t -51.16 -52.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' A' ' 65' ' ' GLU . 25.2 t -68.65 -36.29 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -59.93 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.462 HD12 HG23 ' A' ' 67' ' ' VAL . 3.4 tp -51.2 -47.05 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 60' ' ' VAL . 45.9 t -63.04 -46.71 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.2 mm-40 -61.71 -44.24 97.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.93 -55.38 30.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 94' ' ' LEU . 51.2 t -57.52 -21.87 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.36 -44.55 78.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.34 -12.59 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.629 HD12 HG22 ' A' ' 30' ' ' VAL . 16.2 mt -77.25 -45.96 24.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' HD22 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -107.53 14.24 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 61.87 95.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 50.87 45.2 49.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.515 ' CD2' HG12 ' A' ' 67' ' ' VAL . 18.0 tp -47.02 155.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 36.9 mt-10 -86.31 61.03 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.695 ' HB3' HG13 ' A' ' 64' ' ' VAL . 7.4 tp -107.44 156.58 18.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.49 153.23 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -44.97 -34.42 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.4 -47.76 80.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.854 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -48.69 -48.08 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.729 HG23 ' OD1' ' A' ' 80' ' ' ASP . 61.6 t -62.03 -50.35 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -62.44 -14.39 40.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -44.35 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' HB1' ' N ' ' A' ' 90' ' ' PHE . . . -117.25 81.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 78.1 p -66.05 -53.49 37.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 86' ' ' THR . 22.3 p -68.54 149.03 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 5.0 t80 -58.66 -57.71 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.21 -55.03 3.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.74 -47.84 81.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.426 ' N ' ' HB1' ' A' ' 84' ' ' ALA . 68.0 t80 -54.47 -57.84 9.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.72 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 28.0 mm -41.39 -54.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.594 ' CG ' HG23 ' A' ' 16' ' ' VAL . 1.6 mp0 -48.34 -50.65 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.07 -50.1 71.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 67' ' ' VAL . 1.4 tp -52.76 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.51 ' CG2' HD11 ' A' ' 19' ' ' LEU . 42.2 t -42.3 -53.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.49 ' HG3' HD12 ' A' ' 17' ' ' LEU . 23.5 mtt180 -48.26 -43.08 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HE3' HD12 ' A' ' 76' ' ' LEU . 46.8 mttm -68.61 -41.4 79.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.606 HD22 ' SG ' ' A' ' 71' ' ' CYS . 18.4 mt -54.87 -60.08 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -52.31 -45.56 65.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.61 139.7 6.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 179.88 42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.22 167.15 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.94 146.87 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 176.14 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.4 81.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.029 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.89 -172.48 33.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.89 20.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -143.3 -62.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 p -50.05 141.14 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.01 85.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.22 -58.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.61 -156.42 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -162.6 109.0 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -165.6 131.27 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.94 -69.2 0.49 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 53.66 57.78 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 38.21 57.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 133.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.81 -127.98 1.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.95 139.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.04 -62.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.73 79.23 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -141.44 170.02 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.37 137.34 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.871 HD22 ' NH1' ' A' ' 99' ' ' ARG . 16.6 mt -79.17 156.43 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 5.3 tt0 -103.71 124.96 49.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 23' ' ' GLU . 3.2 mm? -64.16 178.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 22' ' ' ALA . 30.6 p -142.01 158.84 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -28.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -90.26 -61.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' HB3' HD12 ' A' ' 19' ' ' LEU . 4.8 mm-40 -48.78 -45.63 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 24' ' ' LEU . 10.7 mt -47.98 -39.61 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 55.5 t -71.97 -33.16 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.786 HG21 ' CD1' ' A' ' 98' ' ' LEU . 1.2 m -72.92 -44.35 61.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.54 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 9.7 pt-20 -55.66 -34.91 65.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.08 -33.97 77.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG21 HD22 ' A' ' 94' ' ' LEU . 21.2 t -72.39 -42.21 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.01 -39.36 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -62.41 -31.87 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 29' ' ' ALA . 42.3 t -63.08 -46.59 95.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.503 ' CH2' ' N ' ' A' ' 87' ' ' PHE . 11.6 m0 -61.53 -58.2 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -49.58 -56.22 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -51.53 -45.29 62.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 21.6 mt -69.18 -71.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 53' ' ' SER . 17.5 mt -58.53 110.05 2.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -40.16 -42.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 38' ' ' LEU . 98.9 t -58.96 115.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.74 -27.03 21.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -146.26 141.54 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.55 134.61 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -125.67 -178.96 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.53 4.66 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -111.55 -16.9 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' THR . 0.9 OUTLIER -67.47 157.15 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.543 ' OD2' HG23 ' A' ' 86' ' ' THR . 0.2 OUTLIER -116.19 124.0 49.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 75.3 t80 -55.23 -20.91 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 85' ' ' SER . 20.9 m-85 -92.9 -67.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 1.4 mptp? -41.43 -39.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.669 ' HB3' HD22 ' A' ' 38' ' ' LEU . 10.4 m -48.55 -51.44 27.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.46 42.15 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 50' ' ' PHE . . . -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.1 166.76 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -53.85 -16.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -74.89 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.866 ' O ' HG23 ' A' ' 64' ' ' VAL . 75.8 t -48.97 -45.49 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 ' OD1' ' A' ' 78' ' ' ASN . 22.7 t -73.82 -36.67 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -51.5 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 HG23 ' A' ' 67' ' ' VAL . 5.5 tp -56.82 -51.03 70.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 60' ' ' VAL . 36.2 t -59.86 -40.71 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.94 -38.33 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.01 -54.7 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.777 HG12 ' CD2' ' A' ' 74' ' ' LEU . 58.7 t -59.88 -21.54 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.581 ' NZ ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -63.58 -42.07 98.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -24.89 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 70' ' ' LEU . 17.9 mt -63.43 -50.8 68.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.8 t -95.91 -2.55 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' LYS . 20.4 t70 61.66 68.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 98.14 40.73 3.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.777 ' CD2' HG12 ' A' ' 67' ' ' VAL . 53.5 tp -58.37 138.46 56.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -77.46 56.84 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.737 HD23 HG13 ' A' ' 64' ' ' VAL . 9.3 tp -103.31 154.44 19.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -141.27 147.58 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' HG22 ' A' ' 61' ' ' VAL . 68.3 m-20 -41.42 -32.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -59.33 -48.57 81.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.685 ' OD1' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -44.09 -48.13 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.685 HG23 ' OD1' ' A' ' 80' ' ' ASP . 57.8 t -60.53 -49.0 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CE1' HG11 ' A' ' 60' ' ' VAL . 16.1 m-30 -60.51 -17.41 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -46.14 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 83.77 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 89.7 p -69.56 -38.69 77.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.543 HG23 ' OD2' ' A' ' 49' ' ' ASP . 1.9 p -80.63 141.75 34.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 74.3 t80 -56.04 -50.88 69.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.405 ' O ' ' OE1' ' A' ' 92' ' ' GLN . . . -47.92 -52.97 15.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -40.05 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.58 -53.48 57.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.6 mm -44.34 -56.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 88' ' ' GLY . 1.6 mp0 -47.85 -48.6 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -63.4 -45.05 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.707 HD22 HG21 ' A' ' 30' ' ' VAL . 3.4 tp -60.2 -59.04 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.0 t -47.26 -36.5 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -64.86 -47.76 76.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.471 ' CE ' ' HG ' ' A' ' 93' ' ' LEU . 10.0 mttm -66.67 -31.9 72.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.786 ' CD1' HG21 ' A' ' 26' ' ' THR . 31.4 mt -71.26 -53.5 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.871 ' NH1' HD22 ' A' ' 17' ' ' LEU . 72.8 mtt180 -53.13 -48.11 68.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.73 109.62 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -160.89 141.17 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 0.804 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.63 141.12 51.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.51 149.28 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.81 148.58 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -61.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.92 98.63 1.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.55 18.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -172.16 140.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.46 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -55.87 159.36 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.67 105.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 131.43 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.63 149.89 52.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -67.23 -58.27 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.99 151.27 21.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.577 1.173 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -142.84 -52.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.62 177.52 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 56.21 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.58 67.07 0.38 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.89 99.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.41 84.75 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.96 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 p -136.46 104.77 5.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.496 HG23 ' CD ' ' A' ' 92' ' ' GLN . 2.7 p -132.44 141.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD22 ' NH1' ' A' ' 99' ' ' ARG . 67.3 mt -99.26 144.97 27.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.97 118.57 30.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.753 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.5 mm? -63.37 163.44 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.781 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.6 p -153.58 164.95 37.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -35.2 -39.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.97 -72.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -51.77 -47.84 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 20' ' ' THR . 5.9 mp -40.21 -51.61 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' GLU . 27.6 t -50.85 -42.35 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.895 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.1 m -78.46 -42.76 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -61.87 -26.23 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.2 mm-40 -82.9 -37.7 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.32 85.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.495 HG22 HD12 ' A' ' 70' ' ' LEU . 39.5 t -63.56 -40.99 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -39.83 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -62.25 -32.52 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.69 -50.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.56 -45.23 85.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mm-40 -61.53 -57.73 10.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -53.0 -43.35 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.01 HD13 ' OD1' ' A' ' 59' ' ' ASP . 25.3 mt -64.52 -70.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.775 HD22 ' HB3' ' A' ' 53' ' ' SER . 6.2 mt -68.89 113.24 14.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -68.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -40.17 -41.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.5 109.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.36 -32.09 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.16 138.59 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 t -112.81 123.46 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -120.56 -171.69 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -78.4 -19.15 53.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -88.8 -15.03 35.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 133.29 54.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.59 122.41 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CZ ' ' CG ' ' A' ' 59' ' ' ASP . 23.4 t80 -45.03 -36.46 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' LYS . 26.6 m-85 -83.06 -65.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PHE . 21.5 mttt -39.12 -33.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.775 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.9 m -62.91 -74.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' N ' HD22 ' A' ' 38' ' ' LEU . . . 166.41 40.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' CB ' ' OD2' ' A' ' 59' ' ' ASP . . . -87.75 139.58 30.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.46 -174.49 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -71.17 -17.09 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -90.72 -33.29 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 1.01 ' OD1' HD13 ' A' ' 37' ' ' ILE . 50.1 t0 -59.31 -36.33 75.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.875 ' O ' HG23 ' A' ' 64' ' ' VAL . 64.2 t -52.06 -51.68 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.702 HG12 ' HG3' ' A' ' 65' ' ' GLU . 39.8 t -68.81 -33.48 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -61.76 -56.95 14.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD12 HG23 ' A' ' 67' ' ' VAL . 3.3 tp -56.35 -49.69 73.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 60' ' ' VAL . 38.5 t -61.34 -40.73 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.702 ' HG3' HG12 ' A' ' 61' ' ' VAL . 2.5 mm-40 -67.93 -40.46 83.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.44 -56.43 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.597 HG12 ' CD2' ' A' ' 74' ' ' LEU . 89.6 t -59.27 -17.6 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -68.14 -48.96 63.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -17.92 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.495 HD12 HG22 ' A' ' 30' ' ' VAL . 13.3 mt -68.53 -47.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 2.0 t -104.53 9.87 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' LYS . 28.6 t0 62.24 81.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 70.4 44.96 57.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD2' HG12 ' A' ' 67' ' ' VAL . 44.7 tp -50.15 149.96 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.06 60.21 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 HG13 ' A' ' 64' ' ' VAL . 9.2 tp -109.01 147.16 32.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.25 156.58 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.98 -32.67 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -50.57 73.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.733 ' OD1' HD11 ' A' ' 93' ' ' LEU . 61.0 m-20 -45.63 -51.67 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' CG2' ' A' ' 64' ' ' VAL . 59.6 t -55.92 -46.23 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -65.63 -27.57 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.82 -38.59 37.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 89' ' ' ASP . . . -127.05 92.67 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -77.46 -31.83 54.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.5 p -86.26 147.38 26.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.373 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' HE1' HG12 ' A' ' 30' ' ' VAL . 26.0 t80 -57.26 -56.61 19.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.75 -59.66 2.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.425 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 7.8 t0 -58.58 -50.38 74.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -52.19 -61.65 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.434 HD11 ' CZ ' ' A' ' 87' ' ' PHE . 19.4 mm -40.07 -54.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.496 ' CD ' HG23 ' A' ' 16' ' ' VAL . 65.1 mm-40 -48.95 -47.71 43.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.733 HD11 ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -64.04 -45.78 87.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.485 HD13 HG11 ' A' ' 67' ' ' VAL . 3.2 tp -59.23 -57.77 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.558 HG21 HD11 ' A' ' 19' ' ' LEU . 76.5 t -46.51 -35.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -50.48 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HE3' HD11 ' A' ' 93' ' ' LEU . 14.2 mttm -63.92 -33.76 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.895 ' CD1' HG21 ' A' ' 26' ' ' THR . 41.9 mt -67.65 -58.89 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.403 ' NH1' HD22 ' A' ' 17' ' ' LEU . 74.6 mtt180 -52.17 -42.28 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 101' ' ' ASP . . . -58.6 -87.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 100' ' ' GLY . 3.5 t70 81.06 155.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -88.44 123.91 33.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.69 -61.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -177.74 120.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.3 p -177.1 115.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 43.77 -111.58 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 94.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -59.82 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 t 59.93 104.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.972 . . . . . . . . 0 0 . 1 stop_ save_