data_1wiz_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 1wiz _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' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -90.83 155.63 45.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.28 14.93 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 16.62 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -48.1 -38.67 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.536 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 25.7 m-85 -61.92 -60.43 3.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.89 -34.03 58.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -59.63 -56.95 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.526 HG12 ' CE1' ' A' ' 40' ' ' PHE . 91.7 t -52.73 -60.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -44.48 -51.19 9.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.89 -45.83 92.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.3 tp10 -53.26 -48.79 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.1 mt -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -11.06 48.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.521 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.05 -4.79 59.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 52.13 42.96 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.532 HG11 ' CG ' ' A' ' 91' ' ' TYR . 1.9 m -103.66 178.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.488 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.77 137.35 41.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -39.84 -30.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -67.86 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG11 ' CB ' ' A' ' 94' ' ' GLU . 42.1 t -45.82 -52.96 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.546 ' O ' ' N ' ' A' ' 44' ' ' ALA . 29.2 t80 -59.1 -65.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -42.34 -38.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -66.96 -43.45 83.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.536 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 8.9 m -91.71 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.67 -57.39 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -148.68 24.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 57.51 65.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.613 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -136.29 -175.8 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -107.04 -157.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 13.2 tt0 -97.67 -57.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.54 -28.77 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -84.9 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 41' ' ' ALA . 43.3 tp -46.41 -38.25 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -44.87 89.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.477 ' CD1' HD12 ' A' ' 51' ' ' LEU . 75.6 mt -75.52 -20.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -98.33 -13.69 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -93.19 -49.39 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -84.48 -28.67 26.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.536 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 mt-10 49.33 48.83 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 104.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -44.06 138.09 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.34 9.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -90.96 -30.49 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' ALA . 16.6 p -113.42 -22.59 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.443 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -40.44 148.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.44 151.43 22.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -39.01 -44.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.13 -56.25 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 73' ' ' LEU . 2.3 tt -69.33 -50.56 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.77 -42.25 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.42 -41.05 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.8 -50.47 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 69' ' ' LEU . 68.6 mt -47.68 -52.51 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -55.36 -46.65 76.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -56.82 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.539 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.5 mtm -46.65 -62.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.433 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -50.56 -27.06 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -74.45 -30.98 62.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.536 ' CZ ' HG21 ' A' ' 43' ' ' VAL . 34.8 t80 -80.85 -38.46 28.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.51 -11.02 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.99 -30.42 24.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -47.68 163.9 0.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.57 16.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -45.1 -39.1 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.73 -39.17 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.7 mm-40 -70.48 -59.07 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -45.69 -43.02 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.71 -45.52 85.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -74.0 -52.51 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 93.8 mt -42.06 -49.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 18.9 m-85 -61.47 -49.57 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.79 -42.91 76.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -40.39 81.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.47 ' CB ' HG11 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -92.11 152.15 42.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.98 8.39 43.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -41.01 -38.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.9 m-85 -63.05 -60.9 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -54.93 -32.21 61.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -62.2 -54.36 42.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -53.31 -60.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -44.86 -49.61 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -45.27 89.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.95 -49.39 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.525 HD22 ' CG ' ' A' ' 40' ' ' PHE . 14.8 mt -58.55 -48.73 79.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -10.97 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -90.56 -53.19 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.9 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 t 55.11 39.19 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.5 m -105.83 163.97 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 35' ' ' VAL . 66.0 p -84.53 161.3 20.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -59.75 -29.65 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.55 -62.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 94' ' ' GLU . 38.9 t -43.27 -50.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' A' ' 44' ' ' ALA . 35.1 t80 -63.03 -64.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -74.58 -41.62 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.592 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 9.4 m -95.11 8.02 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.594 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.4 24.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 55.14 65.13 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.6 mmt180 -135.35 -179.99 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.5 p -101.13 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -101.0 -48.8 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.42 -27.76 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -86.53 -68.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' LEU . 43.5 tp -40.06 -35.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -63.69 -57.63 9.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.55 -23.78 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' GLU . 92.5 mt -79.27 -42.64 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.49 -13.2 60.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -90.02 -48.87 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -85.06 -42.14 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 9.5 mt-10 64.94 45.87 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.05 104.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.14 139.14 3.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.17 9.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.73 -33.28 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . 9.0 p -113.64 -21.15 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.22 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.1 156.26 19.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -48.28 -38.49 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -37.51 71.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' CD1' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -86.35 -53.69 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.2 mt -45.41 -42.02 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.57 -39.72 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 82.4 m-20 -80.07 -51.0 9.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 69' ' ' LEU . 57.9 mt -48.84 -48.51 41.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -58.85 -46.43 87.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.16 -56.97 14.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.558 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 31.2 mtm -45.63 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -50.5 -28.9 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.14 -29.65 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 66.5 t80 -81.91 -35.74 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.02 -12.25 61.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -84.96 -28.69 25.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.66 164.71 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.75 15.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -44.29 -40.24 5.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.64 -39.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.0 mm-40 -69.53 -59.51 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.608 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -46.29 -48.25 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.85 -45.26 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -53.66 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -43.71 -52.37 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.658 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 18.2 m-85 -56.04 -48.62 75.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -56.16 -57.49 11.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -43.12 -53.2 5.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.434 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.32 152.91 41.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.7 17.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.08 10.17 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -42.73 -38.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 29.8 m-85 -60.23 -59.26 5.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.01 -37.98 78.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.1 -53.08 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 ' CE2' ' A' ' 40' ' ' PHE . 52.7 t -53.96 -66.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -39.99 -51.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.29 -41.05 98.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' VAL . 16.3 tp10 -60.62 -44.83 95.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 40' ' ' PHE . 18.5 mt -63.81 -45.35 90.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.69 -11.11 59.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -50.26 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.628 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -91.86 -1.85 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER 47.59 49.08 16.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG13 ' CG ' ' A' ' 91' ' ' TYR . 1.6 m -103.8 178.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.38 135.76 37.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -41.94 -29.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.19 -61.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.3 t -43.16 -51.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CD1' HD22 ' A' ' 30' ' ' LEU . 53.4 t80 -60.74 -64.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.25 -34.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -43.59 72.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.546 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 13.4 m -92.88 8.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.607 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.45 -57.42 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -149.73 26.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 55.35 65.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.1 mmt-85 -135.28 -172.62 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.3 p -107.99 -145.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 51' ' ' LEU . 13.5 tt0 -112.33 -55.63 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.39 -27.85 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -85.87 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 tp -41.85 -36.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -59.05 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.2 pt-20 -52.01 -31.13 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 82.1 mt -72.23 -43.6 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.6 -14.01 60.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -90.62 -48.15 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -83.63 -34.59 25.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 45.0 mt-10 57.17 46.23 19.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -46.73 104.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 3.1 m-20 -43.81 137.12 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -34.69 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' ALA . 10.7 p -113.25 -21.35 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.13 139.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -71.58 154.36 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -46.93 -38.93 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.98 68.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.48 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.57 -54.36 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.78 -45.08 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -48.96 -42.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.0 m-20 -78.16 -50.7 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 62.3 mt -47.23 -52.49 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -58.35 -44.25 88.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -56.42 -57.21 13.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.502 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.7 mtm -45.95 -64.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.15 -27.75 3.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -72.5 -35.12 68.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.546 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 65.9 t80 -77.81 -40.69 39.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.29 -13.1 34.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -81.76 -28.84 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 14.0 mt -48.65 162.53 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.17 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.38 -40.14 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -58.59 -39.35 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.4 mm-40 -71.28 -58.55 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.45 -42.52 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -43.36 97.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -73.07 -51.58 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 83.0 mt -44.18 -55.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.628 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 22.7 m-85 -54.38 -46.91 73.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -53.85 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 -52.96 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mp0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 46.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -79.72 150.75 73.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -14.57 21.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -102.24 12.16 37.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -44.25 -27.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.1 m-85 -69.98 -58.87 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.96 -32.56 66.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.78 -43.07 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' ' 40' ' ' PHE . 90.4 t -63.65 -62.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.442 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 1.1 mtt180 -45.69 -45.63 14.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -69.35 -31.01 69.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 6.8 tp10 -70.16 -46.16 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD23 ' CG ' ' A' ' 40' ' ' PHE . 23.0 mt -63.29 -45.97 88.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -11.07 45.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -89.28 -53.55 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.601 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -86.1 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t 51.42 44.59 28.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 91' ' ' TYR . 1.8 m -104.06 167.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.58 138.85 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' CB ' HD22 ' A' ' 52' ' ' LEU . 36.5 mt-30 -42.96 -28.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . . . -76.17 -56.81 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -45.67 -48.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' HG11 ' A' ' 26' ' ' VAL . 77.9 t80 -65.72 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.32 -33.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' NH1' ' ND2' ' A' ' 46' ' ' ASN . 2.2 tpt180 -70.97 -51.4 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.573 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 6.1 m -84.92 7.64 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.58 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -102.72 -57.43 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.55 25.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.436 ' ND2' ' NH1' ' A' ' 42' ' ' ARG . 23.8 t-20 56.55 64.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.603 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -134.66 -175.23 3.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.1 p -101.15 -166.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -97.28 -39.9 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.2 -25.57 62.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -82.45 -60.26 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 37' ' ' GLN . 33.2 tp -46.56 -39.62 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -44.67 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 51' ' ' LEU . 84.4 mt -77.15 -24.44 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.21 -13.98 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -92.98 -46.25 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -85.62 -42.8 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.555 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.2 mt-10 62.87 45.43 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' CB ' HD11 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -46.85 104.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -42.74 137.78 2.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -89.34 -35.57 16.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -113.9 -20.67 10.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -39.65 140.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -69.19 145.6 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -41.15 -41.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -45.29 69.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -75.56 -54.58 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -43.26 -45.57 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -48.91 -43.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.7 m-20 -76.82 -50.73 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.495 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 66.8 mt -47.65 -47.38 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 34.4 mtt180 -65.13 -43.38 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.52 32.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.3 mtm -47.9 -61.6 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -48.93 -28.94 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.72 -34.71 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.5 t80 -76.64 -41.42 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.93 -11.1 44.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -84.59 -13.63 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -72.7 158.19 87.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.96 142.82 28.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -42.77 -42.82 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -53.42 -41.49 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' PRO . 14.8 mt-10 -66.85 -60.06 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.6 mtm105 -54.59 -43.78 72.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.61 -56.5 14.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -67.75 -48.88 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 68.0 mt -45.06 -54.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.601 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 20.1 m-85 -56.35 -47.44 78.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.43 -55.48 33.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -40.16 22.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.83 154.8 50.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.68 14.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.02 11.4 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -44.16 -34.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.545 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 19.5 m-85 -67.18 -58.15 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -60.77 -27.44 67.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -67.1 -48.87 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.66 -58.17 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -46.84 -43.48 18.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -67.32 -38.78 85.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tp10 -62.12 -46.76 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.545 HD22 ' CD2' ' A' ' 40' ' ' PHE . 18.4 mt -63.37 -41.5 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.68 -10.88 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -51.06 5.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.569 ' CB ' ' CE2' ' A' ' 91' ' ' TYR . . . -88.59 -5.01 58.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 51.39 44.82 28.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.523 HG11 ' CG ' ' A' ' 91' ' ' TYR . 2.0 m -107.06 171.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -93.91 139.98 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -38.96 -38.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -62.43 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ALA . 37.2 t -40.07 -51.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CD2' HD22 ' A' ' 30' ' ' LEU . 19.5 t80 -63.02 -59.55 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.58 -26.59 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.45 -35.16 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.592 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 9.5 m -102.27 7.67 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.21 -57.04 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.6 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.18 27.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 53.89 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.1 mmt180 -138.99 173.63 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.4 p -95.2 -163.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.1 tt0 -92.58 -58.19 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . . . -37.68 -33.84 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -79.01 -68.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.7 tp -41.93 -38.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -52.26 66.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.0 pt-20 -59.91 -32.21 70.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 51' ' ' LEU . 98.3 mt -70.2 -23.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.42 -19.02 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -87.14 -45.93 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.3 -37.2 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.545 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 49.0 mt-10 57.66 45.33 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -46.82 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.85 138.85 3.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.95 11.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.84 -31.1 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -113.42 -24.12 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -39.42 154.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.41 155.37 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.82 -40.51 21.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -44.65 74.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 73' ' ' LEU . 1.5 tt -76.22 -56.61 4.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.8 mt -43.96 -40.95 5.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -52.42 -43.47 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' LEU . 75.9 m-20 -74.28 -49.27 23.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 69' ' ' LEU . 67.4 mt -47.55 -54.36 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -50.02 -49.72 49.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.12 -55.13 36.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.568 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.7 mtm -47.5 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -33.66 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.41 -34.55 70.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 42.7 t80 -76.47 -34.54 58.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 37.5 mt -70.19 -12.49 61.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.83 -26.55 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.47 163.45 0.37 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.96 133.61 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -45.16 -39.35 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -59.61 -38.83 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.5 mm-40 -70.65 -59.03 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.97 -43.92 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -43.73 85.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -52.56 11.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.433 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mt -42.4 -51.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 18.9 m-85 -59.76 -47.06 87.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -56.54 -46.0 80.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -36.93 79.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.98 154.02 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.39 18.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.95 10.22 41.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -44.64 -33.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 24.6 m-85 -65.7 -55.25 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.14 -34.6 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.89 -44.14 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.0 t -60.09 -62.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -53.06 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -39.82 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 7.7 tp10 -60.75 -45.29 94.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD22 ' CD2' ' A' ' 40' ' ' PHE . 22.1 mt -61.01 -47.49 86.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -10.59 45.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.92 -53.11 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.653 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.1 -5.4 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.1 t 54.32 41.41 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -106.9 164.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -87.8 139.73 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -38.79 -34.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.38 -66.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 94' ' ' GLU . 4.8 t -40.8 -47.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CD2' HD22 ' A' ' 30' ' ' LEU . 18.3 t80 -64.18 -60.18 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -45.29 -28.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -75.57 -39.66 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.4 m -96.72 6.89 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.581 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.71 -57.17 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -151.15 29.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 53.12 64.96 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.598 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 6.4 mmt180 -136.29 -175.22 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 68.2 p -104.29 -154.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -101.98 -59.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.01 -29.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -81.15 -66.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.1 tp -43.98 -42.66 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.6 72.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' LEU . 1.4 pt-20 -67.85 -29.51 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 51' ' ' LEU . 76.8 mt -73.86 -18.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.0 -17.0 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -89.52 -50.11 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -83.88 -32.0 25.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.538 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.0 mt-10 53.27 47.36 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -46.77 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' ALA . 1.1 m-20 -44.08 136.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -0.4 9.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -32.17 15.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -114.88 -15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . -43.29 162.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.19 -42.53 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -38.86 68.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.53 -53.47 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.21 -43.4 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.55 -40.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.3 m-20 -77.78 -49.74 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 72.3 mt -46.34 -53.77 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -56.86 -45.96 82.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -58.56 -48.68 80.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.575 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.6 mtm -55.42 -65.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -29.88 11.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -70.34 -37.36 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 49.4 t80 -76.79 -37.33 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 51.0 mt -71.26 -13.47 61.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -83.83 -24.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -56.98 161.57 4.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.94 140.12 25.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -53.53 -41.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 15.5 mt-10 -67.16 -60.67 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -54.13 -45.12 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.23 -55.11 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -67.68 -46.78 71.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 67.6 mt -47.71 -57.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.653 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 21.7 m-85 -52.54 -47.07 66.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.74 -42.16 92.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.55 98.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.453 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 40.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -83.88 149.96 57.76 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.56 21.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.91 10.87 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -42.93 -31.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 17.3 m-85 -67.28 -60.42 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.15 -35.93 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -59.33 -45.16 92.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 40' ' ' PHE . 57.7 t -57.87 -64.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -47.06 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -38.49 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' NH1' ' A' ' 87' ' ' ARG . 14.3 tp10 -66.52 -46.58 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.584 HD22 ' CD2' ' A' ' 40' ' ' PHE . 22.5 mt -62.37 -45.29 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -10.55 52.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -89.97 -53.2 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -88.45 -2.98 58.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.6 t 47.86 47.37 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.53 HG12 ' CG ' ' A' ' 91' ' ' TYR . 1.5 m -103.72 179.03 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -97.26 135.96 38.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 53.2 mt-30 -40.64 -33.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.43 -64.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 94' ' ' GLU . 66.4 t -41.47 -53.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD2' HD22 ' A' ' 30' ' ' LEU . 17.6 t80 -59.5 -56.53 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.21 -28.81 19.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -75.78 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.586 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 6.2 m -101.98 7.65 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.596 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -102.79 -57.16 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -147.86 25.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.38 64.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.4 mmt180 -140.03 176.56 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.1 p -99.04 -176.0 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.78 -45.64 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.64 -31.96 10.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -80.41 -62.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 56' ' ' LEU . 17.0 tp -46.52 -31.73 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -64.71 -50.86 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.11 -26.01 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 51' ' ' LEU . 71.0 mt -78.25 -42.12 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 13.3 mt -74.95 -12.85 60.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -90.83 -49.0 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -84.92 -42.6 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.7 mt-10 64.8 45.61 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.55 105.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.71 138.99 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.69 8.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -89.95 -31.13 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ALA . 69.8 p -114.13 -23.97 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -39.93 140.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.53 155.05 40.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -46.05 -48.5 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -52.43 16.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 73' ' ' LEU . 1.7 tt -69.84 -51.08 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -45.25 -45.12 11.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.68 -38.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.7 m-20 -77.0 -51.71 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.477 ' CD1' HD21 ' A' ' 69' ' ' LEU . 57.5 mt -51.17 -46.28 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.436 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 44.6 mtt180 -63.97 -41.53 97.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.71 -57.83 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.514 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.8 mtm -44.63 -57.99 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -54.17 -28.95 43.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.04 -36.27 61.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 36.4 t80 -76.23 -37.67 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.32 -11.81 61.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -83.87 -17.6 40.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.31 161.18 43.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.99 141.26 26.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -43.05 -41.51 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -54.91 -40.84 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 83' ' ' PRO . 18.8 mt-10 -67.68 -60.4 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.599 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 4.9 mtm105 -55.29 -42.48 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -57.4 -50.38 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.95 63.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 62.1 mt -48.29 -57.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.4 m-85 -51.45 -47.11 63.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -53.38 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.49 -55.74 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 43' ' ' VAL . 2.4 mp0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.03 153.09 49.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.53 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.07 9.72 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -44.07 -32.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.7 m-85 -68.6 -61.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -23.19 64.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -71.63 -39.06 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG13 ' CE2' ' A' ' 40' ' ' PHE . 83.2 t -65.98 -62.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -46.14 3.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.25 -40.4 90.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 24.5 tp10 -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.54 HD23 ' CG ' ' A' ' 40' ' ' PHE . 20.4 mt -62.48 -45.89 90.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -68.57 -10.12 53.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -50.89 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -92.49 -1.52 56.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 46.93 50.41 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG12 ' CG ' ' A' ' 91' ' ' TYR . 1.4 m -104.12 176.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -93.24 139.1 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.941 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -45.2 -25.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.85 -53.4 6.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.45 -47.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' O ' ' N ' ' A' ' 44' ' ' ALA . 66.5 t80 -64.18 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' ARG . . . -46.83 -25.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -79.2 -37.82 37.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.598 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 14.0 m -100.74 7.78 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.2 -56.99 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -147.96 25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.2 t30 55.38 65.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.2 mmt-85 -137.24 177.36 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.7 p -97.93 -155.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -102.31 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -84.16 -64.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 tp -43.44 -41.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.53 -32.74 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLU . 97.2 mt -69.37 -47.87 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.98 -15.11 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -59.38 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -77.52 -39.1 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.0 mt-10 64.23 46.19 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -46.94 104.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.42 140.74 2.94 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.51 -34.87 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -113.02 -23.08 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -39.17 138.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.34 153.15 41.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -44.92 -46.44 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -51.0 34.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 73' ' ' LEU . 2.4 tt -70.6 -55.24 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -43.63 -45.81 7.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -48.28 -41.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.6 m-20 -74.84 -48.26 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 69' ' ' LEU . 58.1 mt -52.29 -52.38 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -54.49 -47.83 72.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -57.27 -49.63 75.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.5 mtm -53.09 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.76 -32.53 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -70.47 -34.34 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 79.1 t80 -78.0 -35.68 49.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.65 -15.59 63.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -77.06 -29.23 55.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 12.1 mt -48.47 163.36 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.09 16.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -40.93 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.88 -40.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 9.2 mm-40 -70.21 -58.9 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.66 -41.47 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -72.76 -51.19 20.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 98.8 mt -41.73 -50.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -61.5 -49.6 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.45 -50.03 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -32.68 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.57 151.88 37.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.11 17.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 10.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -41.78 -35.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CD2' ' OE1' ' A' ' 59' ' ' GLU . 26.7 m-85 -62.95 -61.28 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.58 -36.29 69.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -57.34 -54.77 43.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.8 t -49.42 -61.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -42.03 -51.95 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.87 -42.2 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' CD ' ' CD2' ' A' ' 40' ' ' PHE . 3.6 tm-20 -57.29 -48.76 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD22 ' CG ' ' A' ' 40' ' ' PHE . 16.8 mt -60.35 -44.55 95.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -10.32 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -52.73 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.68 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.14 -5.96 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.0 t 53.08 42.53 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG13 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -105.58 163.04 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -84.77 139.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' SER . 47.0 mt-30 -38.47 -36.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.03 -61.1 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -41.9 -48.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 44' ' ' ALA . 53.0 t80 -67.02 -63.41 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . . . -39.31 -30.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -74.77 -56.2 5.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 10.8 m -80.58 4.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.589 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -99.74 -57.72 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.41 24.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 54.67 65.26 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 8.4 mmt180 -136.78 -177.81 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.2 p -101.13 -151.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -104.68 -54.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.81 -41.83 2.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD13 ' CD1' ' A' ' 55' ' ' ILE . 0.6 OUTLIER -69.82 -66.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 51' ' ' LEU . 34.7 tp -43.25 -48.89 6.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -49.62 -49.45 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.22 -27.97 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.477 ' CD1' HD13 ' A' ' 51' ' ' LEU . 94.5 mt -76.17 -21.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -97.48 -14.31 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -92.93 -45.55 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -87.25 -37.21 17.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.465 ' OE1' ' CD2' ' A' ' 23' ' ' TYR . 30.1 mt-10 58.36 46.24 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.79 105.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -43.44 136.32 3.21 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.68 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -87.75 -35.01 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.9 p -117.81 -9.44 10.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -44.51 156.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.5 150.37 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -42.45 -48.45 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -43.5 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 1.6 tt -77.74 -54.95 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -43.2 -47.23 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -50.3 -42.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.5 m-20 -73.51 -48.99 28.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.509 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 72.3 mt -46.23 -51.32 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -59.3 -51.75 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.1 mtm -53.03 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -54.28 -32.79 57.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.44 -37.46 83.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 69.1 t80 -75.85 -34.7 60.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.68 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.53 -28.76 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.39 164.5 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -75.0 133.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.35 -40.38 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.56 -40.06 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 7.5 mm-40 -69.57 -59.27 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.618 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.48 -48.54 13.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -46.3 66.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -73.02 -52.54 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.416 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 96.7 mt -43.34 -52.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.68 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 22.7 m-85 -58.7 -45.49 89.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.74 -43.12 99.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -46.42 84.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -90.63 152.18 44.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.96 20.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.15 10.4 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -43.13 -34.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.536 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -66.89 -57.07 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -24.22 67.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.87 -42.25 70.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG13 ' CE1' ' A' ' 40' ' ' PHE . 62.2 t -61.07 -55.76 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -46.75 -49.34 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.16 -45.53 94.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' CD ' ' NH1' ' A' ' 87' ' ' ARG . 10.1 tp10 -53.81 -47.56 70.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' A' ' 40' ' ' PHE . 8.0 mt -63.94 -42.23 97.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -69.85 -10.64 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -51.58 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -89.38 -3.11 58.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.6 t 49.53 45.77 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.525 HG11 ' CG ' ' A' ' 91' ' ' TYR . 1.7 m -103.82 178.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 91.3 p -98.35 156.43 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' CB ' ' HG3' ' A' ' 49' ' ' GLN . 21.8 mt-30 -53.94 -35.99 62.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.84 -60.1 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -43.25 -52.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 44' ' ' ALA . 37.3 t80 -63.75 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . . . -41.37 -31.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -73.54 -49.57 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.595 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 12.3 m -86.91 8.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.36 -57.39 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -146.5 20.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 38.5 t-20 58.41 65.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.1 mmt-85 -136.8 -173.13 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 9.5 p -102.96 -143.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' HG3' ' CB ' ' A' ' 37' ' ' GLN . 55.1 tt0 -113.71 -52.2 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.87 -32.93 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -58.87 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.4 tp -49.11 -47.06 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ARG . 3.1 t -49.85 -53.16 27.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -58.7 -30.16 67.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 75.2 mt -74.03 -19.86 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.52 -15.44 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -87.7 -55.11 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.54 -26.69 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.536 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.4 mt-10 53.52 50.97 16.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' HD11 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -48.11 104.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -44.77 138.01 4.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -90.37 -33.37 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.1 p -113.25 -21.18 11.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.6 142.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.34 157.2 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -47.59 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.3 -48.54 46.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.5 tt -74.21 -51.81 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -45.46 -47.95 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.85 -39.2 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.8 m-20 -77.72 -50.5 12.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 69' ' ' LEU . 71.6 mt -49.0 -45.99 43.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.92 -44.52 92.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -57.94 -51.16 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.549 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.0 mtm -52.44 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.424 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -48.73 -31.6 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.85 -35.22 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 40.8 t80 -76.95 -34.04 57.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 58.7 mt -70.79 -17.83 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -74.13 -28.1 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 12.8 mt -51.49 163.19 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -44.47 -42.52 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.519 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.6 -38.94 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.17 -58.74 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -48.76 -41.31 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.35 -47.99 71.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -45.55 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 92.0 mt -50.44 -53.95 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -56.06 -42.77 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.72 -56.94 15.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -36.74 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -85.32 151.2 56.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.55 21.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.32 14.41 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -45.91 -33.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 18.1 m-85 -66.09 -53.83 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.14 -36.16 79.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -57.91 -56.47 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 40' ' ' PHE . 71.9 t -48.96 -60.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -41.96 -61.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.8 t70 -52.27 -44.89 65.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.5 tp10 -54.17 -47.18 72.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.535 HD22 ' CG ' ' A' ' 40' ' ' PHE . 8.8 mt -65.26 -39.24 92.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.8 -20.21 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -85.5 -48.22 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.483 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . . . -88.99 -5.2 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t 50.03 45.28 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.535 HG11 ' CG ' ' A' ' 91' ' ' TYR . 2.0 m -105.85 173.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.24 138.12 34.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.535 ' NE2' ' CD1' ' A' ' 56' ' ' LEU . 34.0 mt-30 -38.82 -36.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -67.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.2 t -40.23 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 44' ' ' ALA . 21.3 t80 -60.74 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.177 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.06 -37.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -67.2 -50.69 59.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.603 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 13.1 m -85.17 8.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.56 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.607 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.49 25.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.419 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 46.0 t-20 55.73 65.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.607 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -140.15 174.31 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -94.21 -170.14 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -90.47 -49.34 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.16 -27.36 1.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -85.75 -67.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' LEU . 23.3 tp -40.29 -36.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -59.64 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.8 pt-20 -53.68 -34.59 59.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.421 ' CD1' HD21 ' A' ' 51' ' ' LEU . 51.3 mt -67.71 -34.56 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' CD1' ' NE2' ' A' ' 37' ' ' GLN . 13.5 mt -83.77 -15.37 48.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -93.72 -43.35 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.509 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.6 mttm -84.78 -36.28 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 54.9 mt-10 53.31 67.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.509 ' OE1' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.17 105.46 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.7 136.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -34.25 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -115.4 -14.3 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -42.62 160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -89.31 148.52 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -41.78 -47.27 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -43.83 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -75.03 -52.31 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.5 mt -45.48 -43.56 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.04 -40.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.6 m-20 -77.85 -50.14 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 69' ' ' LEU . 55.7 mt -51.51 -38.94 56.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -68.92 -43.38 75.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.85 -56.87 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.503 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.4 mtm -44.66 -61.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -50.81 -32.48 20.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.04 -39.7 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 53.2 t80 -73.36 -33.15 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.9 -12.11 60.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -87.71 -23.38 24.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 16.0 mt -51.21 165.0 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.86 15.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.51 -39.27 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.62 -39.08 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.5 mm-40 -68.97 -60.02 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -46.45 -46.73 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -43.02 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -73.55 -54.39 8.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.405 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 94.3 mt -43.32 -53.18 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 17.5 m-85 -55.57 -46.18 77.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -55.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 90' ' ' ILE . 2.1 mp0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.52 151.18 61.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.01 19.89 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.19 12.7 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -44.64 -30.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 10.8 m-85 -70.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -27.58 62.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.07 -43.97 77.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 40' ' ' PHE . 86.6 t -63.25 -61.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -43.13 -50.35 6.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -34.92 78.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 9.8 tp10 -66.48 -46.3 76.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.582 HD23 ' CD2' ' A' ' 40' ' ' PHE . 27.9 mt -61.04 -47.02 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -65.81 -11.2 44.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -53.28 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.483 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -85.36 -6.17 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 51.07 45.41 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG11 ' CG ' ' A' ' 91' ' ' TYR . 1.4 m -103.52 176.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -95.2 138.74 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CB ' HD22 ' A' ' 52' ' ' LEU . 10.2 mt-30 -39.99 -39.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.52 -60.3 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.8 t -40.62 -52.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CD2' HD23 ' A' ' 30' ' ' LEU . 52.3 t80 -63.14 -63.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.25 -37.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -51.12 49.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 6.3 m -82.93 6.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.36 -57.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.32 25.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 54.52 65.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.6 mmt-85 -136.9 175.12 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -94.21 -174.13 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.81 -51.16 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.29 -28.77 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -80.93 -67.89 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.449 HD22 ' CB ' ' A' ' 37' ' ' GLN . 21.0 tp -40.7 -37.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.62 30.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.9 -32.1 52.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' GLU . 78.9 mt -72.62 -42.25 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.07 -12.51 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 -48.61 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -85.46 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.565 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.5 mt-10 63.57 47.49 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.97 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.83 136.43 2.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.45 7.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.57 -37.19 18.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -114.1 -18.09 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' LEU . . . -37.93 141.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.1 m -76.83 146.42 37.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' SER . 12.9 pt20 -38.1 -44.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.7 p -49.11 -51.09 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 65' ' ' ALA . 9.7 mt -45.24 -40.39 7.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.3 t -54.25 -40.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.5 m-20 -78.26 -51.28 10.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' CD1' HD21 ' A' ' 69' ' ' LEU . 57.8 mt -47.88 -52.62 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -56.44 -46.46 80.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.48 -55.83 27.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.534 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.3 mtm -48.19 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -27.3 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.61 -35.02 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 43' ' ' VAL . 33.0 t80 -76.21 -46.75 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 56.7 mt -62.32 -13.74 31.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -80.86 -22.95 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 24.8 mt -62.98 159.81 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.98 142.32 27.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -42.88 -41.9 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -54.4 -41.11 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 16.3 mt-10 -67.24 -60.33 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.5 mtm105 -55.51 -44.92 77.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.44 -55.04 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.31 59.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 61.8 mt -44.96 -53.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.8 m-85 -57.64 -47.32 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -59.99 -46.0 90.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -40.01 74.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.83 150.83 51.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.7 21.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.88 13.23 27.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -45.78 -34.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.3 m-85 -62.98 -59.28 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -54.8 -40.87 69.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -52.29 -54.21 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.6 t -48.63 -65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.51 -52.55 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 8.0 tp10 -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 40' ' ' PHE . 19.0 mt -60.43 -46.08 91.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -10.59 50.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -52.44 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.626 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.51 -5.67 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 53.41 43.36 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.46 171.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -94.38 140.62 29.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' CB ' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-30 -38.85 -34.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -66.22 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ALA . 3.9 t -40.16 -48.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CG ' HD23 ' A' ' 30' ' ' LEU . 25.2 t80 -66.37 -62.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -77.95 -41.11 37.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 9.1 m -96.09 7.94 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.589 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.58 -57.07 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -146.61 21.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 59.83 64.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 20.2 mmt-85 -142.8 172.37 12.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.7 p -95.89 -178.58 4.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.3 -53.6 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.92 -30.91 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 55' ' ' ILE . 1.1 tm? -83.25 -62.05 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD21 ' CB ' ' A' ' 37' ' ' GLN . 23.0 tp -46.2 -32.66 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -59.57 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.59 -25.99 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 51' ' ' LEU . 91.3 mt -77.24 -41.41 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.86 -14.32 60.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -93.62 -45.48 7.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.4 mttm -84.1 -38.45 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.565 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.4 mt-10 54.31 67.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.94 105.44 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.64 139.19 2.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.83 -34.34 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.8 p -113.67 -19.56 11.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -43.1 140.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.56 154.1 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.53 -50.37 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 p -46.86 -51.17 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 73' ' ' LEU . 1.2 tt -69.92 -52.93 20.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.23 -45.19 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.29 -41.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.8 m-20 -74.71 -47.66 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 69' ' ' LEU . 48.7 mt -55.85 -36.46 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -68.79 -44.96 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.97 -55.9 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 31.3 mtm -45.27 -59.5 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -33.19 63.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.85 -32.67 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 58.1 t80 -75.78 -38.48 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -77.56 -31.84 53.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.97 163.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.96 132.57 15.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.08 7.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.513 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.26 -38.79 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.513 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.55 -58.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.588 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -50.18 -40.35 46.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.05 -49.42 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -70.28 -47.38 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 55.8 mt -47.55 -57.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.626 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 23.1 m-85 -52.27 -51.29 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -56.33 -52.77 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -46.82 -51.7 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 152.63 75.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.83 15.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -93.96 11.44 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -40.77 -32.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.3 m-85 -65.83 -61.22 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -56.0 -36.61 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.88 -47.02 83.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG11 ' CE2' ' A' ' 40' ' ' PHE . 78.1 t -55.74 -66.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -43.49 -49.97 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -41.47 84.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 11.1 tp10 -63.96 -45.36 89.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 40' ' ' PHE . 18.8 mt -63.33 -44.32 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.51 -11.33 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -52.77 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.652 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.25 -6.75 59.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.2 t 53.34 43.51 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.535 HG11 ' CG ' ' A' ' 91' ' ' TYR . 2.0 m -107.12 160.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -79.48 138.69 37.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 61.3 mt-30 -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.5 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.406 ' CG1' ' HG3' ' A' ' 94' ' ' GLU . 11.5 t -41.16 -49.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 30' ' ' LEU . 30.5 t80 -65.51 -62.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.2 -32.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 40' ' ' PHE . 1.1 tpt85 -71.59 -51.49 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 5.9 m -84.52 7.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.33 -57.33 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -149.01 24.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 56.53 64.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.598 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 7.2 mmt-85 -139.35 -177.71 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 p -104.27 -169.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -88.23 -56.07 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.56 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -79.51 -68.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 56' ' ' LEU . 21.8 tp -39.73 -37.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -61.53 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.5 pt-20 -49.62 -32.14 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 51' ' ' LEU . 96.8 mt -71.85 -43.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 11.7 mt -75.27 -13.52 60.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -88.83 -49.45 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -83.83 -37.21 22.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.7 mt-10 59.26 46.7 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.83 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.87 139.28 2.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.51 -28.76 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.6 p -116.29 -12.48 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.13 172.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -110.2 155.07 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -42.07 -43.11 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -55.54 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -68.46 -54.45 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -43.78 -45.83 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.15 -42.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.6 m-20 -74.91 -50.53 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.472 ' CD1' HD21 ' A' ' 69' ' ' LEU . 66.7 mt -48.21 -46.98 35.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -65.37 -42.0 93.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.55 -54.36 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.56 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 26.9 mtm -49.94 -63.6 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -44.53 -34.29 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.79 -43.22 93.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.53 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 43.6 t80 -71.79 -36.76 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.95 -15.42 62.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -82.13 -15.75 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 mt -69.85 161.21 76.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.06 141.1 26.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -42.89 -41.45 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -55.11 -41.03 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' PRO . 17.1 mt-10 -67.01 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 14.0 mtm105 -55.25 -46.31 76.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -52.41 -51.45 59.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -44.87 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' GLU . 54.7 mt -52.02 -48.22 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -58.53 -47.57 83.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -67.68 -38.7 84.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -31.28 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 90' ' ' ILE . 6.8 tp10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.09 151.16 53.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.47 19.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.09 12.21 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -44.87 -33.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.8 m-85 -65.91 -59.81 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -58.19 -33.58 69.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.64 -47.57 85.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 40' ' ' PHE . 65.3 t -55.42 -63.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -45.81 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -34.79 78.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 10.1 tp10 -67.23 -45.11 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 40' ' ' PHE . 24.0 mt -63.46 -44.54 94.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -10.61 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -52.41 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -88.08 -3.08 58.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.4 t 48.7 46.46 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.523 HG13 ' CG ' ' A' ' 91' ' ' TYR . 1.5 m -103.72 179.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.57 138.74 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -42.12 -27.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -77.96 -56.9 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.55 -45.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CD1' HD22 ' A' ' 30' ' ' LEU . 77.5 t80 -67.04 -63.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -49.64 -22.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 40' ' ' PHE . 3.0 tpt180 -76.64 -34.32 58.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 12.0 m -102.15 -9.33 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.632 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -80.85 -57.5 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.637 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.34 30.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 50.98 65.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.637 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 13.2 mmt-85 -136.17 175.32 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -98.69 -166.58 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -92.57 -48.22 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.17 -25.68 4.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 55' ' ' ILE . 1.1 tm? -89.12 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 tp -44.9 -34.29 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -62.83 -58.02 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.48 -29.81 37.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 51' ' ' LEU . 85.8 mt -73.67 -42.74 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.3 -14.25 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -91.09 -46.25 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -84.79 -37.2 21.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 50.6 mt-10 58.49 46.91 14.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.86 104.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.2 137.88 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -95.13 -27.32 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -114.29 -16.64 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.85 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLN . 6.4 p -116.04 153.26 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 26.7 pt20 -38.21 -43.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -56.39 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 1.7 tt -69.78 -51.92 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.57 -44.11 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 t -50.42 -40.53 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' LEU . 77.1 m-20 -76.29 -46.64 26.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.456 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 52.3 mt -53.58 -49.93 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -58.04 -46.68 84.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.68 -54.24 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -49.29 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -33.37 30.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.9 -36.28 75.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 43' ' ' VAL . 51.9 t80 -78.27 -30.29 48.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 52.2 mt -74.49 -15.56 60.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -83.12 -23.43 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 16.7 mt -52.12 165.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.461 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 135.15 18.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -45.78 -42.57 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.19 -35.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -70.99 -59.31 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -50.14 -43.82 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -54.35 -48.96 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -70.44 -47.19 61.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 88.5 mt -49.79 -52.17 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.6 m-85 -57.98 -40.95 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.78 -52.48 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.89 61.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.22 150.18 37.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.66 21.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.98 10.0 41.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -43.26 -33.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 21.3 m-85 -65.2 -57.67 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -56.94 -30.42 64.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.08 -62.18 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -44.15 -42.79 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.21 -38.93 72.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.2 tp10 -63.27 -47.85 80.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.576 HD23 ' CD2' ' A' ' 40' ' ' PHE . 22.5 mt -59.87 -47.11 87.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -10.78 49.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -52.28 4.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.664 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.66 -6.61 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 t 53.67 43.32 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.29 168.95 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.8 146.49 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -48.07 -23.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.04 -60.23 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG1' ' HG3' ' A' ' 94' ' ' GLU . 3.2 t -40.61 -46.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD2' HD23 ' A' ' 30' ' ' LEU . 32.6 t80 -67.18 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -38.31 -31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.8 tpt180 -71.84 -53.45 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 40' ' ' PHE . 10.7 m -83.33 6.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.2 -57.45 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -152.86 31.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t30 51.35 65.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.605 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 2.3 mmt180 -137.96 -178.35 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.48 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 70.3 p -104.02 -150.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -105.13 -51.96 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.99 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -84.86 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.1 tp -41.23 -29.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 51' ' ' LEU . 6.5 t -65.52 -52.64 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.4 pt-20 -58.97 -36.26 74.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 51' ' ' LEU . 69.6 mt -69.37 -15.3 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -105.01 -14.58 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -91.54 -55.87 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -26.46 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 23' ' ' TYR . 58.1 mt-10 51.28 52.66 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.82 104.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -43.37 136.06 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -34.18 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.8 p -113.76 -19.77 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.48 145.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 147.3 38.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -42.14 -45.31 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -44.89 64.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 73' ' ' LEU . 2.0 tt -75.12 -55.45 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 mt -44.29 -44.75 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -48.88 -40.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 73.6 m-20 -76.35 -49.18 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 69' ' ' LEU . 60.7 mt -51.22 -51.43 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.82 -44.18 90.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -57.57 -51.1 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.573 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.0 mtm -53.37 -61.2 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -48.07 -31.53 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.0 -35.56 74.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.457 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 42.1 t80 -77.27 -37.26 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.55 -14.75 63.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -80.07 -31.89 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -47.59 163.7 0.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 132.44 15.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -42.15 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.516 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.06 -38.54 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.516 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.73 -58.36 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.5 mtm105 -49.21 -47.94 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -50.85 -46.54 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -71.06 -47.76 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 94' ' ' GLU . 61.7 mt -47.81 -54.84 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.664 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 29.5 m-85 -55.61 -42.71 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.33 -49.02 71.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -21.71 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 90' ' ' ILE . 5.7 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.8 154.53 53.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.6 21.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.79 17.34 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -51.71 -36.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 30.0 m-85 -60.99 -56.31 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.13 -34.63 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -59.0 -47.88 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.3 -65.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -41.84 -61.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -51.36 -45.29 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 10.5 tp10 -55.73 -51.23 68.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 40' ' ' PHE . 12.8 mt -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.33 -11.1 49.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -52.96 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.79 -5.81 59.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.0 t 51.66 43.96 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -104.29 169.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.412 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -88.14 139.43 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.62 -34.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.23 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.7 t -40.86 -49.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' O ' ' N ' ' A' ' 44' ' ' ALA . 29.9 t80 -65.28 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -36.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 14.2 m -99.85 7.51 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.594 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.55 -57.0 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -145.22 21.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.94 65.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.2 mmt180 -134.88 -173.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.1 p -104.07 -156.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.107 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.15 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.46 -34.61 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -75.12 -64.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' N ' HD13 ' A' ' 51' ' ' LEU . 24.7 tp -43.34 -48.41 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.72 -49.44 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -27.87 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 51' ' ' LEU . 83.3 mt -76.54 -19.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.2 mt -101.72 -16.3 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -60.54 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -78.81 -25.19 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.533 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.9 mt-10 49.65 48.66 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -46.56 104.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.02 139.28 3.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -88.26 -34.84 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -113.14 -21.44 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -39.67 141.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.62 151.55 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -43.9 -44.19 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 p -50.33 -47.18 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.9 tt -75.2 -54.39 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.9 -42.78 6.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 t -51.41 -42.64 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.1 m-20 -73.59 -46.84 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.44 ' CD1' HD23 ' A' ' 69' ' ' LEU . 60.1 mt -53.02 -51.41 61.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -53.68 -48.52 69.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -57.56 -51.14 70.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.5 mtm -52.09 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -31.78 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.81 -38.51 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 80.6 t80 -75.03 -32.88 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -76.07 -17.84 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -79.67 -18.44 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.38 162.52 18.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 137.63 21.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.86 -46.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -50.45 -42.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.8 mt-10 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 6.8 mtm105 -53.44 -46.69 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.43 -55.21 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -48.75 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.3 mt -45.83 -53.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.646 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 20.2 m-85 -56.08 -49.07 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ASP . 2.9 tp-100 -56.89 -61.78 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' GLN . 2.1 t0 -39.67 -52.38 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 41.7 t . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 153.76 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.69 16.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.31 13.29 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -47.32 -35.25 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.9 m-85 -66.12 -61.27 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -56.2 -29.88 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -64.3 -51.22 64.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 40' ' ' PHE . 87.0 t -54.06 -61.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.54 -58.67 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.33 -30.74 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.51 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.9 tp10 -69.12 -47.28 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 40' ' ' PHE . 25.7 mt -60.98 -41.73 97.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.94 -10.59 59.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -51.26 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -90.73 -5.69 55.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.8 t 53.08 40.8 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -103.76 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.418 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -80.81 139.77 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 37.6 mt-30 -39.58 -35.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.66 -63.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -44.12 -47.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD2' HD23 ' A' ' 30' ' ' LEU . 28.6 t80 -67.35 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -47.95 -26.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.47 -35.26 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.599 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 14.9 m -101.23 7.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -102.35 -57.17 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.602 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -142.49 18.56 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 60.16 64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -136.64 -175.41 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -100.96 -165.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -94.49 -54.79 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.68 -26.18 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -83.89 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 41' ' ' ALA . 28.8 tp -43.9 -34.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -62.74 -54.21 42.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.92 -32.11 65.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 51' ' ' LEU . 64.4 mt -69.78 -39.13 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.48 -15.9 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -92.17 -42.48 9.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -87.21 -41.19 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 16.3 mt-10 59.57 45.26 13.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -47.67 105.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 1.3 m-20 -43.49 139.05 2.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 -35.32 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 p -113.66 -19.02 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.355 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.36 144.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -79.21 150.02 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -41.07 -47.09 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -48.43 -45.63 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.522 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -77.49 -53.94 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.73 -43.17 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.55 -42.93 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' LEU . 84.9 m-20 -76.71 -47.71 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.522 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 61.0 mt -50.57 -46.92 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.462 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 77.8 mtt180 -63.41 -44.79 93.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.55 64.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -48.49 -61.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -35.84 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.465 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 1.5 t-20 -67.8 -24.0 65.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 75.0 t80 -93.14 -27.96 16.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 26' ' ' VAL . 83.6 mt -81.05 -20.2 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.511 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 42.7 p30 -91.95 10.07 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.75 164.96 42.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.99 135.84 19.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -43.04 -44.33 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.11 -40.44 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -68.81 -59.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -51.53 -47.24 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.86 -60.69 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -49.23 76.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.9 mt -45.57 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -50.87 -48.69 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -55.54 -50.96 68.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.33 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.447 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -100.5 152.34 37.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -101.76 2.97 39.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 19' ' ' SER . 1.3 tp -41.56 -37.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.4 m-85 -65.0 -61.55 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.15 -29.05 65.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -64.59 -57.5 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 65.6 t -46.3 -57.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -47.46 -53.57 13.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.55 -35.05 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 4.5 tp10 -65.97 -47.97 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.535 HD23 ' CG ' ' A' ' 40' ' ' PHE . 11.8 mt -60.35 -43.67 96.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -10.67 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -51.69 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.18 -6.07 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 7.0 t 54.15 42.5 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.9 m -107.45 174.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -100.04 140.58 34.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' SER . 14.4 mt-30 -37.12 -42.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 42' ' ' ARG . . . -56.98 -68.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG12 ' CG ' ' A' ' 94' ' ' GLU . 42.7 t -44.78 -58.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CG ' HD23 ' A' ' 30' ' ' LEU . 4.2 t80 -51.3 -44.63 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.61 75.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.2 tpt85 -64.64 -27.34 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.59 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 8.0 m -102.65 -32.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -61.36 -57.56 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.1 p90 -149.15 36.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 42.36 66.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -133.74 -176.44 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -101.05 -158.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.6 tt0 -101.65 -57.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.04 -29.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -83.18 -67.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.3 tp -42.44 -37.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -51.34 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 3.1 pt-20 -61.58 -32.56 72.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 51' ' ' LEU . 96.6 mt -69.67 -20.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 mt -98.73 -17.88 18.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -48.87 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -85.22 -20.17 30.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.567 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 41.9 mt-10 42.27 48.63 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -47.64 104.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 6.2 t0 -44.53 137.05 4.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -89.8 -35.61 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -113.54 -19.38 11.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.85 136.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.94 154.29 37.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -50.19 -37.04 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -42.81 86.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -77.99 -53.22 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -44.62 -46.6 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.63 -40.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 78.8 m-20 -79.26 -50.47 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 69' ' ' LEU . 65.6 mt -48.6 -43.66 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -62.28 -46.21 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.25 -57.09 14.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.508 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.4 mtm -46.06 -63.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.447 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -50.74 -29.35 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.35 -28.88 53.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' CG2' ' A' ' 43' ' ' VAL . 66.4 t80 -80.15 -35.22 36.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 62.2 mt -72.64 -15.55 61.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.73 -27.44 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.7 164.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.47 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.97 132.35 15.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -42.31 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.515 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.8 -38.67 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.515 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.5 -58.56 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.7 mtm105 -48.51 -40.19 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -49.17 74.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.61 -42.94 73.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 94.2 mt -53.37 -59.92 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.637 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 24.3 m-85 -49.53 -41.41 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -66.34 -53.89 30.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -45.05 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.463 ' CG ' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 151.3 40.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -19.19 17.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -97.0 14.0 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -42.66 -32.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.6 m-85 -65.67 -59.71 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -57.03 -35.99 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.41 -52.24 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' CE2' ' A' ' 40' ' ' PHE . 73.7 t -51.43 -63.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.1 -50.08 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -43.75 97.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 40' ' ' PHE . 4.4 tm-20 -57.67 -44.13 85.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.559 HD21 ' CG ' ' A' ' 40' ' ' PHE . 19.8 mt -61.97 -49.67 75.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.76 -11.35 45.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -51.6 6.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.612 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -91.46 -2.83 57.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.5 t 51.03 46.2 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.523 HG11 ' CG ' ' A' ' 91' ' ' TYR . 2.0 m -106.76 176.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.485 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.07 138.75 34.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.461 ' CB ' HD21 ' A' ' 52' ' ' LEU . 15.8 mt-30 -40.42 -28.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . . . -72.45 -67.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.436 ' CG1' ' HB3' ' A' ' 94' ' ' GLU . 40.7 t -41.24 -57.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CD1' ' OE1' ' A' ' 29' ' ' GLU . 27.7 t80 -51.13 -38.97 55.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -70.13 -48.67 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' ASN . 2.1 tpt180 -49.28 -26.24 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.6 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 32.7 m -103.48 -48.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -47.25 -58.07 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.618 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.4 p90 -150.4 43.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' PHE . 5.6 t-20 35.37 66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.618 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.81 176.25 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.2 p -95.3 -169.54 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 38' ' ' ALA . 15.2 tm0? -92.45 -56.69 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.43 -29.74 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' CD1' HD13 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -81.77 -62.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 37' ' ' GLN . 41.1 tp -47.63 -35.57 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -51.64 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.32 -28.49 69.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 51' ' ' LEU . 75.6 mt -73.45 -22.43 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.96 -19.52 19.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -83.95 -48.58 9.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -83.96 -37.97 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 15.7 mt-10 60.19 49.0 7.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' CB ' HD11 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -47.38 104.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 1.2 m-20 -44.63 137.08 4.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 1.55 7.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -89.06 -37.44 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -114.37 -17.69 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -38.89 147.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.0 153.38 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.11 -45.6 22.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -37.1 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.517 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -84.63 -54.42 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 mt -45.6 -42.57 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.87 -39.61 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 3.2 m-20 -79.17 -51.81 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.517 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 69.0 mt -46.02 -39.52 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -68.28 -44.31 75.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.26 -55.87 29.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.517 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 29.2 mtm -47.29 -64.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -51.44 -38.4 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.5 -38.46 89.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CZ ' ' CG2' ' A' ' 43' ' ' VAL . 88.2 t80 -74.72 -23.17 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.08 -21.57 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -74.89 -17.91 60.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.03 164.11 3.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.1 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.45 -37.87 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -60.77 -39.07 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.4 mm-40 -69.74 -59.17 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.6 mtm105 -44.68 -46.71 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.35 -41.26 75.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.89 -54.54 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.9 mt -43.69 -50.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.612 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.6 m-85 -58.48 -44.64 89.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -58.15 -44.87 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -38.1 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.436 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 67.82 168.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 69.14 145.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.5 108.1 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -172.77 130.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -158.98 169.88 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.57 -128.33 1.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.91 95.79 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -169.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.45 137.45 12.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 166.51 29.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -164.39 99.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.52 166.05 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -152.77 124.79 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m 39.71 79.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.95 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -86.38 169.5 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -132.9 141.12 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -90.83 155.63 45.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.28 14.93 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 16.62 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -48.1 -38.67 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.536 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 25.7 m-85 -61.92 -60.43 3.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.89 -34.03 58.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -59.63 -56.95 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.526 HG12 ' CE1' ' A' ' 40' ' ' PHE . 91.7 t -52.73 -60.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -44.48 -51.19 9.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.89 -45.83 92.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.3 tp10 -53.26 -48.79 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.1 mt -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -11.06 48.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.521 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.05 -4.79 59.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 52.13 42.96 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.532 HG11 ' CG ' ' A' ' 91' ' ' TYR . 1.9 m -103.66 178.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.488 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.77 137.35 41.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -39.84 -30.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -67.86 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG11 ' CB ' ' A' ' 94' ' ' GLU . 42.1 t -45.82 -52.96 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.546 ' O ' ' N ' ' A' ' 44' ' ' ALA . 29.2 t80 -59.1 -65.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -42.34 -38.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -66.96 -43.45 83.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.536 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 8.9 m -91.71 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.67 -57.39 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -148.68 24.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 57.51 65.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.613 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -136.29 -175.8 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -107.04 -157.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 13.2 tt0 -97.67 -57.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.54 -28.77 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -84.9 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 41' ' ' ALA . 43.3 tp -46.41 -38.25 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -44.87 89.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.477 ' CD1' HD12 ' A' ' 51' ' ' LEU . 75.6 mt -75.52 -20.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -98.33 -13.69 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -93.19 -49.39 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -84.48 -28.67 26.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.536 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 mt-10 49.33 48.83 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 104.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -44.06 138.09 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.34 9.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -90.96 -30.49 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' ALA . 16.6 p -113.42 -22.59 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.443 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -40.44 148.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.44 151.43 22.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -39.01 -44.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.13 -56.25 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 73' ' ' LEU . 2.3 tt -69.33 -50.56 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.77 -42.25 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.42 -41.05 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.8 -50.47 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 69' ' ' LEU . 68.6 mt -47.68 -52.51 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -55.36 -46.65 76.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -56.82 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.539 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.5 mtm -46.65 -62.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.433 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -50.56 -27.06 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -74.45 -30.98 62.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.536 ' CZ ' HG21 ' A' ' 43' ' ' VAL . 34.8 t80 -80.85 -38.46 28.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.51 -11.02 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.99 -30.42 24.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -47.68 163.9 0.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.57 16.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -45.1 -39.1 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.73 -39.17 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.7 mm-40 -70.48 -59.07 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -45.69 -43.02 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.71 -45.52 85.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -74.0 -52.51 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 93.8 mt -42.06 -49.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 18.9 m-85 -61.47 -49.57 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.79 -42.91 76.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -40.39 81.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.47 ' CB ' HG11 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -62.72 -57.87 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -50.95 -51.15 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.96 77.95 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.64 97.86 0.28 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.3 t 43.43 74.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.8 p -39.84 145.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.19 144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.976 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.19 134.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.5 -165.68 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.25 171.13 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -169.83 168.98 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.51 94.91 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 157.56 49.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -167.58 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 91.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.12 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.7 p -151.0 -177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -179.82 164.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -151.0 103.73 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m 41.89 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.28 173.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -84.39 173.6 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.8 140.54 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -92.11 152.15 42.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.98 8.39 43.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -41.01 -38.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.9 m-85 -63.05 -60.9 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -54.93 -32.21 61.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -62.2 -54.36 42.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -53.31 -60.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -44.86 -49.61 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -45.27 89.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.95 -49.39 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.525 HD22 ' CG ' ' A' ' 40' ' ' PHE . 14.8 mt -58.55 -48.73 79.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -10.97 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -90.56 -53.19 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.9 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 t 55.11 39.19 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.5 m -105.83 163.97 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 35' ' ' VAL . 66.0 p -84.53 161.3 20.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -59.75 -29.65 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.55 -62.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 94' ' ' GLU . 38.9 t -43.27 -50.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' A' ' 44' ' ' ALA . 35.1 t80 -63.03 -64.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -74.58 -41.62 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.592 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 9.4 m -95.11 8.02 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.594 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.4 24.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 55.14 65.13 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.6 mmt180 -135.35 -179.99 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.5 p -101.13 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -101.0 -48.8 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.42 -27.76 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -86.53 -68.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' LEU . 43.5 tp -40.06 -35.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -63.69 -57.63 9.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.55 -23.78 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' GLU . 92.5 mt -79.27 -42.64 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.49 -13.2 60.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -90.02 -48.87 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -85.06 -42.14 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 9.5 mt-10 64.94 45.87 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.05 104.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.14 139.14 3.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.17 9.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.73 -33.28 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . 9.0 p -113.64 -21.15 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.22 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.1 156.26 19.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -48.28 -38.49 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -37.51 71.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' CD1' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -86.35 -53.69 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.2 mt -45.41 -42.02 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.57 -39.72 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 82.4 m-20 -80.07 -51.0 9.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 69' ' ' LEU . 57.9 mt -48.84 -48.51 41.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -58.85 -46.43 87.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.16 -56.97 14.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.558 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 31.2 mtm -45.63 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -50.5 -28.9 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.14 -29.65 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 66.5 t80 -81.91 -35.74 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.02 -12.25 61.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -84.96 -28.69 25.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.66 164.71 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.75 15.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -44.29 -40.24 5.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.64 -39.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.0 mm-40 -69.53 -59.51 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.608 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -46.29 -48.25 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.85 -45.26 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -53.66 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -43.71 -52.37 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.658 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 18.2 m-85 -56.04 -48.62 75.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -56.16 -57.49 11.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -43.12 -53.2 5.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.434 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -48.86 -61.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -49.52 75.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.05 111.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.87 175.54 27.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.1 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.88 15.97 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.5 m -117.54 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -115.38 -58.79 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.943 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.7 169.45 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p 175.84 167.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 115.79 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -170.13 145.91 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.757 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.06 160.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.72 135.59 8.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 113.47 0.36 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.06 38.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.24 148.14 6.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.6 -47.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 175.03 152.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.87 75.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m 39.85 77.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.69 170.28 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.52 175.35 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.02 140.66 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.32 152.91 41.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.7 17.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.08 10.17 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -42.73 -38.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 29.8 m-85 -60.23 -59.26 5.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.01 -37.98 78.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.1 -53.08 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 ' CE2' ' A' ' 40' ' ' PHE . 52.7 t -53.96 -66.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -39.99 -51.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.29 -41.05 98.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' VAL . 16.3 tp10 -60.62 -44.83 95.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 40' ' ' PHE . 18.5 mt -63.81 -45.35 90.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.69 -11.11 59.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -50.26 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.628 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -91.86 -1.85 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER 47.59 49.08 16.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG13 ' CG ' ' A' ' 91' ' ' TYR . 1.6 m -103.8 178.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.38 135.76 37.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -41.94 -29.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.19 -61.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.3 t -43.16 -51.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CD1' HD22 ' A' ' 30' ' ' LEU . 53.4 t80 -60.74 -64.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.25 -34.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -43.59 72.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 13.4 m -92.88 8.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.607 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.45 -57.42 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -149.73 26.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 55.35 65.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.1 mmt-85 -135.28 -172.62 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.3 p -107.99 -145.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 51' ' ' LEU . 13.5 tt0 -112.33 -55.63 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.39 -27.85 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -85.87 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 tp -41.85 -36.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -59.05 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.2 pt-20 -52.01 -31.13 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 82.1 mt -72.23 -43.6 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.6 -14.01 60.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -90.62 -48.15 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -83.63 -34.59 25.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 45.0 mt-10 57.17 46.23 19.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -46.73 104.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 3.1 m-20 -43.81 137.12 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -34.69 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' ALA . 10.7 p -113.25 -21.35 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.13 139.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -71.58 154.36 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -46.93 -38.93 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.98 68.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.57 -54.36 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.78 -45.08 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -48.96 -42.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.0 m-20 -78.16 -50.7 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 62.3 mt -47.23 -52.49 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -58.35 -44.25 88.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -56.42 -57.21 13.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.502 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.7 mtm -45.95 -64.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.15 -27.75 3.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -72.5 -35.12 68.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.546 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 65.9 t80 -77.81 -40.69 39.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.29 -13.1 34.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -81.76 -28.84 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 14.0 mt -48.65 162.53 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.17 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.38 -40.14 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -58.59 -39.35 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.4 mm-40 -71.28 -58.55 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.45 -42.52 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -43.36 97.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -73.07 -51.58 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 83.0 mt -44.18 -55.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.628 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 22.7 m-85 -54.38 -46.91 73.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -53.85 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 -52.96 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mp0 -52.5 -61.29 2.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -53.69 -51.57 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -137.08 136.1 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 -150.16 10.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 90.48 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -107.66 -59.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.85 131.21 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.059 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -172.51 -60.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.41 166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.09 -145.72 12.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m 61.81 86.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p 179.29 127.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.02 102.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.88 104.84 55.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -140.22 150.3 61.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.45 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -92.62 139.2 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.82 167.69 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.67 -166.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.97 15.15 10.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t 62.28 138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.97 -177.63 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 46.6 t -136.3 124.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -79.72 150.75 73.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -14.57 21.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -102.24 12.16 37.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -44.25 -27.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.1 m-85 -69.98 -58.87 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.96 -32.56 66.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.78 -43.07 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' ' 40' ' ' PHE . 90.4 t -63.65 -62.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 1.1 mtt180 -45.69 -45.63 14.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -69.35 -31.01 69.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 6.8 tp10 -70.16 -46.16 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD23 ' CG ' ' A' ' 40' ' ' PHE . 23.0 mt -63.29 -45.97 88.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -11.07 45.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -89.28 -53.55 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -86.1 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t 51.42 44.59 28.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 91' ' ' TYR . 1.8 m -104.06 167.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.58 138.85 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' CB ' HD22 ' A' ' 52' ' ' LEU . 36.5 mt-30 -42.96 -28.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . . . -76.17 -56.81 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -45.67 -48.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' HG11 ' A' ' 26' ' ' VAL . 77.9 t80 -65.72 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.32 -33.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' NH1' ' ND2' ' A' ' 46' ' ' ASN . 2.2 tpt180 -70.97 -51.4 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.573 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 6.1 m -84.92 7.64 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.58 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -102.72 -57.43 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.55 25.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' ND2' ' NH1' ' A' ' 42' ' ' ARG . 23.8 t-20 56.55 64.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.603 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -134.66 -175.23 3.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.1 p -101.15 -166.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -97.28 -39.9 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.2 -25.57 62.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -82.45 -60.26 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 37' ' ' GLN . 33.2 tp -46.56 -39.62 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -44.67 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 51' ' ' LEU . 84.4 mt -77.15 -24.44 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.21 -13.98 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -92.98 -46.25 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -85.62 -42.8 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.555 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.2 mt-10 62.87 45.43 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' CB ' HD11 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -46.85 104.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -42.74 137.78 2.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -89.34 -35.57 16.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -113.9 -20.67 10.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -39.65 140.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -69.19 145.6 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -41.15 -41.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -45.29 69.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -75.56 -54.58 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -43.26 -45.57 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -48.91 -43.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.7 m-20 -76.82 -50.73 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.495 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 66.8 mt -47.65 -47.38 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 34.4 mtt180 -65.13 -43.38 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.52 32.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.3 mtm -47.9 -61.6 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -48.93 -28.94 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.72 -34.71 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.5 t80 -76.64 -41.42 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.93 -11.1 44.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -84.59 -13.63 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -72.7 158.19 87.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.96 142.82 28.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -42.77 -42.82 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -53.42 -41.49 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' PRO . 14.8 mt-10 -66.85 -60.06 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.6 mtm105 -54.59 -43.78 72.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.61 -56.5 14.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -67.75 -48.88 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 68.0 mt -45.06 -54.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.601 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 20.1 m-85 -56.35 -47.44 78.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.43 -55.48 33.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -40.16 22.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -68.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -51.2 65.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -54.67 97.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 129.44 -175.37 18.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.98 10.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 p -179.22 148.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 m -166.98 145.61 5.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -140.51 152.56 45.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.72 169.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.28 -140.11 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 66.48 143.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.01 158.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.91 172.27 45.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -149.92 138.68 12.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -172.18 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -123.16 150.26 59.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.38 10.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.23 125.24 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -136.94 144.59 43.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.04 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.29 77.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.78 172.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -86.59 172.64 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.57 136.23 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.83 154.8 50.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.68 14.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.02 11.4 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -44.16 -34.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.545 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 19.5 m-85 -67.18 -58.15 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -60.77 -27.44 67.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -67.1 -48.87 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.66 -58.17 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -46.84 -43.48 18.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -67.32 -38.78 85.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tp10 -62.12 -46.76 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.545 HD22 ' CD2' ' A' ' 40' ' ' PHE . 18.4 mt -63.37 -41.5 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.68 -10.88 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -51.06 5.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.569 ' CB ' ' CE2' ' A' ' 91' ' ' TYR . . . -88.59 -5.01 58.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 51.39 44.82 28.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.523 HG11 ' CG ' ' A' ' 91' ' ' TYR . 2.0 m -107.06 171.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -93.91 139.98 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -38.96 -38.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -62.43 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ALA . 37.2 t -40.07 -51.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CD2' HD22 ' A' ' 30' ' ' LEU . 19.5 t80 -63.02 -59.55 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.58 -26.59 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.45 -35.16 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.592 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 9.5 m -102.27 7.67 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.21 -57.04 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.6 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.18 27.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 53.89 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.1 mmt180 -138.99 173.63 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.4 p -95.2 -163.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.1 tt0 -92.58 -58.19 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . . . -37.68 -33.84 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -79.01 -68.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.7 tp -41.93 -38.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -52.26 66.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.0 pt-20 -59.91 -32.21 70.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 51' ' ' LEU . 98.3 mt -70.2 -23.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.42 -19.02 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -87.14 -45.93 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.3 -37.2 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.545 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 49.0 mt-10 57.66 45.33 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -46.82 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.85 138.85 3.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.95 11.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.84 -31.1 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -113.42 -24.12 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -39.42 154.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.41 155.37 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.82 -40.51 21.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -44.65 74.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 73' ' ' LEU . 1.5 tt -76.22 -56.61 4.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.8 mt -43.96 -40.95 5.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -52.42 -43.47 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' LEU . 75.9 m-20 -74.28 -49.27 23.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 69' ' ' LEU . 67.4 mt -47.55 -54.36 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -50.02 -49.72 49.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.12 -55.13 36.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.568 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.7 mtm -47.5 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -33.66 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.41 -34.55 70.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 42.7 t80 -76.47 -34.54 58.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 37.5 mt -70.19 -12.49 61.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.83 -26.55 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.47 163.45 0.37 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.96 133.61 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -45.16 -39.35 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -59.61 -38.83 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.5 mm-40 -70.65 -59.03 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.97 -43.92 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -43.73 85.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -52.56 11.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.433 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mt -42.4 -51.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 18.9 m-85 -59.76 -47.06 87.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -56.54 -46.0 80.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -36.93 79.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -66.48 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.79 -51.84 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.89 146.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.59 -175.47 18.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -53.19 131.75 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.22 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.57 100.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.83 149.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.48 -134.59 7.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.32 107.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.06 148.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 80.31 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -97.45 113.38 63.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 177.24 8.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -162.23 128.74 2.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 148.4 35.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -170.64 69.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -113.75 168.46 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t -175.95 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.5 p -145.88 83.86 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.73 179.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.76 176.34 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.27 137.83 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.98 154.02 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.39 18.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.95 10.22 41.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -44.64 -33.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 24.6 m-85 -65.7 -55.25 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.14 -34.6 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.89 -44.14 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.0 t -60.09 -62.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -53.06 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -39.82 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 7.7 tp10 -60.75 -45.29 94.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD22 ' CD2' ' A' ' 40' ' ' PHE . 22.1 mt -61.01 -47.49 86.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -10.59 45.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.92 -53.11 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.653 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.1 -5.4 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.1 t 54.32 41.41 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -106.9 164.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -87.8 139.73 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -38.79 -34.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.38 -66.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 94' ' ' GLU . 4.8 t -40.8 -47.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CD2' HD22 ' A' ' 30' ' ' LEU . 18.3 t80 -64.18 -60.18 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -45.29 -28.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -75.57 -39.66 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.4 m -96.72 6.89 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.581 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.71 -57.17 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -151.15 29.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 53.12 64.96 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.598 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 6.4 mmt180 -136.29 -175.22 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 68.2 p -104.29 -154.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -101.98 -59.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.01 -29.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -81.15 -66.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.1 tp -43.98 -42.66 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.6 72.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' LEU . 1.4 pt-20 -67.85 -29.51 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 51' ' ' LEU . 76.8 mt -73.86 -18.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.0 -17.0 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -89.52 -50.11 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -83.88 -32.0 25.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.0 mt-10 53.27 47.36 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -46.77 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' ALA . 1.1 m-20 -44.08 136.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -0.4 9.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -32.17 15.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -114.88 -15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . -43.29 162.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.19 -42.53 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -38.86 68.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.53 -53.47 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.21 -43.4 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.55 -40.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.3 m-20 -77.78 -49.74 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 72.3 mt -46.34 -53.77 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -56.86 -45.96 82.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -58.56 -48.68 80.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.575 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.6 mtm -55.42 -65.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -29.88 11.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -70.34 -37.36 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 49.4 t80 -76.79 -37.33 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 51.0 mt -71.26 -13.47 61.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -83.83 -24.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -56.98 161.57 4.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.94 140.12 25.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -53.53 -41.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 15.5 mt-10 -67.16 -60.67 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -54.13 -45.12 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.23 -55.11 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -67.68 -46.78 71.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 67.6 mt -47.71 -57.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.653 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 21.7 m-85 -52.54 -47.07 66.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.74 -42.16 92.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.55 98.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.453 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -59.15 -57.99 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 33' ' ' ALA . 15.0 mtt180 -46.06 -50.94 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.68 93.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.79 -160.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 153.39 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.06 161.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.18 150.52 38.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.89 140.38 24.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -152.96 163.71 39.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.55 127.93 3.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -173.9 124.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.31 157.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.12 -162.63 30.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 152.11 96.43 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 101.46 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.11 153.42 2.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 76.39 3.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.1 p -144.69 -148.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.71 -64.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.69 63.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.7 m 42.49 70.7 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 167.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 4.8 tt0 -94.04 143.49 26.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 40.8 t -108.48 134.29 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -83.88 149.96 57.76 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.56 21.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.91 10.87 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -42.93 -31.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 17.3 m-85 -67.28 -60.42 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.15 -35.93 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -59.33 -45.16 92.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 40' ' ' PHE . 57.7 t -57.87 -64.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -47.06 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -38.49 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' NH1' ' A' ' 87' ' ' ARG . 14.3 tp10 -66.52 -46.58 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.584 HD22 ' CD2' ' A' ' 40' ' ' PHE . 22.5 mt -62.37 -45.29 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -10.55 52.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -89.97 -53.2 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -88.45 -2.98 58.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.6 t 47.86 47.37 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.53 HG12 ' CG ' ' A' ' 91' ' ' TYR . 1.5 m -103.72 179.03 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -97.26 135.96 38.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 53.2 mt-30 -40.64 -33.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.43 -64.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 94' ' ' GLU . 66.4 t -41.47 -53.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD2' HD22 ' A' ' 30' ' ' LEU . 17.6 t80 -59.5 -56.53 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.21 -28.81 19.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -75.78 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.586 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 6.2 m -101.98 7.65 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.596 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -102.79 -57.16 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -147.86 25.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.38 64.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.4 mmt180 -140.03 176.56 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.1 p -99.04 -176.0 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.78 -45.64 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.64 -31.96 10.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -80.41 -62.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 56' ' ' LEU . 17.0 tp -46.52 -31.73 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -64.71 -50.86 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.11 -26.01 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 51' ' ' LEU . 71.0 mt -78.25 -42.12 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 13.3 mt -74.95 -12.85 60.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -90.83 -49.0 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -84.92 -42.6 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.7 mt-10 64.8 45.61 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.55 105.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.71 138.99 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.69 8.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -89.95 -31.13 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ALA . 69.8 p -114.13 -23.97 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -39.93 140.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.53 155.05 40.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -46.05 -48.5 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -52.43 16.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 73' ' ' LEU . 1.7 tt -69.84 -51.08 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -45.25 -45.12 11.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.68 -38.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.7 m-20 -77.0 -51.71 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.477 ' CD1' HD21 ' A' ' 69' ' ' LEU . 57.5 mt -51.17 -46.28 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.436 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 44.6 mtt180 -63.97 -41.53 97.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.71 -57.83 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.514 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.8 mtm -44.63 -57.99 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -54.17 -28.95 43.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.04 -36.27 61.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 36.4 t80 -76.23 -37.67 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.32 -11.81 61.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -83.87 -17.6 40.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.31 161.18 43.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.99 141.26 26.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -43.05 -41.51 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -54.91 -40.84 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 83' ' ' PRO . 18.8 mt-10 -67.68 -60.4 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.599 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 4.9 mtm105 -55.29 -42.48 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -57.4 -50.38 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.95 63.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 62.1 mt -48.29 -57.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.4 m-85 -51.45 -47.11 63.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -53.38 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.49 -55.74 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 43' ' ' VAL . 2.4 mp0 -50.58 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.27 -49.82 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 62.36 75.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -160.04 167.65 35.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -158.18 126.15 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 p -75.48 145.33 41.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -176.99 146.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.751 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.88 160.08 41.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 172.63 45.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.9 154.5 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.017 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -70.39 162.08 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.33 150.07 6.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 168.38 25.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 156.77 42.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.34 167.73 9.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 60.86 5.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.788 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -145.13 168.45 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.91 -52.55 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.55 -57.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.4 117.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -150.21 140.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.15 173.14 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -137.54 135.2 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.03 153.09 49.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.53 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.07 9.72 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -44.07 -32.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.7 m-85 -68.6 -61.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -23.19 64.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -71.63 -39.06 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG13 ' CE2' ' A' ' 40' ' ' PHE . 83.2 t -65.98 -62.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -46.14 3.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.25 -40.4 90.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 24.5 tp10 -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.54 HD23 ' CG ' ' A' ' 40' ' ' PHE . 20.4 mt -62.48 -45.89 90.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -68.57 -10.12 53.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -50.89 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -92.49 -1.52 56.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 46.93 50.41 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG12 ' CG ' ' A' ' 91' ' ' TYR . 1.4 m -104.12 176.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -93.24 139.1 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.941 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -45.2 -25.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.85 -53.4 6.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.45 -47.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' O ' ' N ' ' A' ' 44' ' ' ALA . 66.5 t80 -64.18 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' ARG . . . -46.83 -25.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -79.2 -37.82 37.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.598 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 14.0 m -100.74 7.78 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.2 -56.99 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -147.96 25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.2 t30 55.38 65.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.2 mmt-85 -137.24 177.36 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.7 p -97.93 -155.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -102.31 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -84.16 -64.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 tp -43.44 -41.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.53 -32.74 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLU . 97.2 mt -69.37 -47.87 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.98 -15.11 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -59.38 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -77.52 -39.1 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.0 mt-10 64.23 46.19 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -46.94 104.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.42 140.74 2.94 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.51 -34.87 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -113.02 -23.08 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -39.17 138.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.34 153.15 41.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -44.92 -46.44 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -51.0 34.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 73' ' ' LEU . 2.4 tt -70.6 -55.24 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -43.63 -45.81 7.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -48.28 -41.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.6 m-20 -74.84 -48.26 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 69' ' ' LEU . 58.1 mt -52.29 -52.38 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -54.49 -47.83 72.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -57.27 -49.63 75.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.5 mtm -53.09 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.76 -32.53 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -70.47 -34.34 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 79.1 t80 -78.0 -35.68 49.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.65 -15.59 63.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -77.06 -29.23 55.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 12.1 mt -48.47 163.36 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.09 16.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -40.93 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.88 -40.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 9.2 mm-40 -70.21 -58.9 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.66 -41.47 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -72.76 -51.19 20.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 98.8 mt -41.73 -50.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -61.5 -49.6 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.45 -50.03 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -32.68 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -64.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -52.01 60.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.98 83.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.45 -178.19 47.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 118.29 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.77 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -171.63 140.21 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.02 86.5 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.44 138.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 t -171.12 168.2 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.89 -163.56 25.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.91 106.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 179.9 140.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.43 126.43 2.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.25 93.99 2.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.73 38.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.5 162.79 18.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.78 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 t -135.8 54.23 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 62.53 160.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.27 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m 39.55 82.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.56 172.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.92 173.44 9.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -138.95 146.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.57 151.88 37.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.11 17.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 10.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -41.78 -35.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CD2' ' OE1' ' A' ' 59' ' ' GLU . 26.7 m-85 -62.95 -61.28 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.58 -36.29 69.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -57.34 -54.77 43.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.8 t -49.42 -61.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -42.03 -51.95 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.87 -42.2 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' CD ' ' CD2' ' A' ' 40' ' ' PHE . 3.6 tm-20 -57.29 -48.76 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD22 ' CG ' ' A' ' 40' ' ' PHE . 16.8 mt -60.35 -44.55 95.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -10.32 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -52.73 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.68 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.14 -5.96 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.0 t 53.08 42.53 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG13 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -105.58 163.04 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -84.77 139.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' SER . 47.0 mt-30 -38.47 -36.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.03 -61.1 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -41.9 -48.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 44' ' ' ALA . 53.0 t80 -67.02 -63.41 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . . . -39.31 -30.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -74.77 -56.2 5.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 10.8 m -80.58 4.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.589 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -99.74 -57.72 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.41 24.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 54.67 65.26 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 8.4 mmt180 -136.78 -177.81 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.2 p -101.13 -151.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -104.68 -54.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.81 -41.83 2.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD13 ' CD1' ' A' ' 55' ' ' ILE . 0.6 OUTLIER -69.82 -66.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 51' ' ' LEU . 34.7 tp -43.25 -48.89 6.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -49.62 -49.45 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.22 -27.97 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.477 ' CD1' HD13 ' A' ' 51' ' ' LEU . 94.5 mt -76.17 -21.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -97.48 -14.31 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -92.93 -45.55 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -87.25 -37.21 17.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' OE1' ' CD2' ' A' ' 23' ' ' TYR . 30.1 mt-10 58.36 46.24 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.79 105.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -43.44 136.32 3.21 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.68 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -87.75 -35.01 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.9 p -117.81 -9.44 10.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -44.51 156.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.5 150.37 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -42.45 -48.45 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -43.5 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 1.6 tt -77.74 -54.95 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -43.2 -47.23 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -50.3 -42.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.5 m-20 -73.51 -48.99 28.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.509 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 72.3 mt -46.23 -51.32 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -59.3 -51.75 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.1 mtm -53.03 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -54.28 -32.79 57.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.44 -37.46 83.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 69.1 t80 -75.85 -34.7 60.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.68 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.53 -28.76 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.39 164.5 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -75.0 133.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.35 -40.38 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.56 -40.06 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 7.5 mm-40 -69.57 -59.27 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.618 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.48 -48.54 13.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -46.3 66.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -73.02 -52.54 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.416 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 96.7 mt -43.34 -52.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.68 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 22.7 m-85 -58.7 -45.49 89.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.74 -43.12 99.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -46.42 84.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -67.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.2 -50.57 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.13 82.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.07 152.58 18.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.74 174.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -135.33 84.21 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -152.2 147.48 26.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -162.84 158.55 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.86 167.79 0.29 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.88 168.08 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.55 135.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.73 58.11 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.02 119.11 29.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -162.22 146.05 9.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -166.05 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -121.06 -61.18 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.415 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 p30 175.71 170.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 m -169.26 177.04 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.7 m -42.06 116.77 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -94.32 140.66 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.02 -178.54 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -138.88 137.43 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -90.63 152.18 44.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.96 20.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.15 10.4 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -43.13 -34.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.536 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -66.89 -57.07 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -24.22 67.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.87 -42.25 70.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG13 ' CE1' ' A' ' 40' ' ' PHE . 62.2 t -61.07 -55.76 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -46.75 -49.34 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.16 -45.53 94.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' CD ' ' NH1' ' A' ' 87' ' ' ARG . 10.1 tp10 -53.81 -47.56 70.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' A' ' 40' ' ' PHE . 8.0 mt -63.94 -42.23 97.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -69.85 -10.64 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -51.58 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -89.38 -3.11 58.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.6 t 49.53 45.77 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.525 HG11 ' CG ' ' A' ' 91' ' ' TYR . 1.7 m -103.82 178.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 91.3 p -98.35 156.43 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' CB ' ' HG3' ' A' ' 49' ' ' GLN . 21.8 mt-30 -53.94 -35.99 62.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.84 -60.1 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -43.25 -52.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 44' ' ' ALA . 37.3 t80 -63.75 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . . . -41.37 -31.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -73.54 -49.57 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.595 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 12.3 m -86.91 8.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.36 -57.39 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -146.5 20.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 38.5 t-20 58.41 65.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.1 mmt-85 -136.8 -173.13 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 9.5 p -102.96 -143.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' HG3' ' CB ' ' A' ' 37' ' ' GLN . 55.1 tt0 -113.71 -52.2 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.87 -32.93 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -58.87 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.4 tp -49.11 -47.06 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ARG . 3.1 t -49.85 -53.16 27.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -58.7 -30.16 67.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 75.2 mt -74.03 -19.86 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.52 -15.44 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -87.7 -55.11 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.54 -26.69 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.536 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.4 mt-10 53.52 50.97 16.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' HD11 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -48.11 104.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -44.77 138.01 4.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -90.37 -33.37 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.1 p -113.25 -21.18 11.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.6 142.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.34 157.2 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -47.59 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.3 -48.54 46.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.5 tt -74.21 -51.81 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -45.46 -47.95 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.85 -39.2 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.8 m-20 -77.72 -50.5 12.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 69' ' ' LEU . 71.6 mt -49.0 -45.99 43.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.92 -44.52 92.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -57.94 -51.16 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.549 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.0 mtm -52.44 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.424 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -48.73 -31.6 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.85 -35.22 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 40.8 t80 -76.95 -34.04 57.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 58.7 mt -70.79 -17.83 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -74.13 -28.1 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 12.8 mt -51.49 163.19 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -44.47 -42.52 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.519 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.6 -38.94 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.17 -58.74 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -48.76 -41.31 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.35 -47.99 71.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -45.55 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 92.0 mt -50.44 -53.95 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -56.06 -42.77 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.72 -56.94 15.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -36.74 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -50.13 -63.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -49.28 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.4 128.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.4 -150.23 21.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.4 p -72.24 139.59 48.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -108.08 114.15 27.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 177.38 142.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.74 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -166.31 164.26 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.48 164.19 18.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p 175.95 165.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.973 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -177.01 171.84 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 151.74 16.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.485 1.115 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -101.77 150.16 37.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -161.22 111.97 1.25 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.59 2.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 t -168.13 159.55 11.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 167.5 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.11 -54.28 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.6 p -116.07 83.07 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.41 175.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -88.3 172.8 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -135.22 141.84 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -85.32 151.2 56.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.55 21.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.32 14.41 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -45.91 -33.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 18.1 m-85 -66.09 -53.83 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.14 -36.16 79.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -57.91 -56.47 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 40' ' ' PHE . 71.9 t -48.96 -60.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -41.96 -61.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.8 t70 -52.27 -44.89 65.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.5 tp10 -54.17 -47.18 72.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.535 HD22 ' CG ' ' A' ' 40' ' ' PHE . 8.8 mt -65.26 -39.24 92.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.8 -20.21 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -85.5 -48.22 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.483 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . . . -88.99 -5.2 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t 50.03 45.28 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.535 HG11 ' CG ' ' A' ' 91' ' ' TYR . 2.0 m -105.85 173.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.24 138.12 34.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.535 ' NE2' ' CD1' ' A' ' 56' ' ' LEU . 34.0 mt-30 -38.82 -36.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -67.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.2 t -40.23 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 44' ' ' ALA . 21.3 t80 -60.74 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.177 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.06 -37.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -67.2 -50.69 59.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.603 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 13.1 m -85.17 8.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.56 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.607 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.49 25.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 46.0 t-20 55.73 65.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.607 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -140.15 174.31 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -94.21 -170.14 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -90.47 -49.34 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.16 -27.36 1.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -85.75 -67.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' LEU . 23.3 tp -40.29 -36.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -59.64 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.8 pt-20 -53.68 -34.59 59.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.421 ' CD1' HD21 ' A' ' 51' ' ' LEU . 51.3 mt -67.71 -34.56 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' CD1' ' NE2' ' A' ' 37' ' ' GLN . 13.5 mt -83.77 -15.37 48.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -93.72 -43.35 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.509 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.6 mttm -84.78 -36.28 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 54.9 mt-10 53.31 67.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.509 ' OE1' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.17 105.46 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.7 136.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -34.25 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -115.4 -14.3 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -42.62 160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -89.31 148.52 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -41.78 -47.27 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -43.83 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -75.03 -52.31 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.5 mt -45.48 -43.56 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.04 -40.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.6 m-20 -77.85 -50.14 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 69' ' ' LEU . 55.7 mt -51.51 -38.94 56.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -68.92 -43.38 75.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.85 -56.87 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.503 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.4 mtm -44.66 -61.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -50.81 -32.48 20.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.04 -39.7 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 53.2 t80 -73.36 -33.15 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.9 -12.11 60.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -87.71 -23.38 24.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 16.0 mt -51.21 165.0 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.86 15.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.51 -39.27 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.62 -39.08 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.5 mm-40 -68.97 -60.02 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -46.45 -46.73 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -43.02 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -73.55 -54.39 8.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.405 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 94.3 mt -43.32 -53.18 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 17.5 m-85 -55.57 -46.18 77.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -55.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 90' ' ' ILE . 2.1 mp0 -44.26 -63.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -49.72 -44.87 48.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.15 74.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.053 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.87 -157.28 7.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.87 170.29 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -102.9 167.4 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.09 121.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.07 143.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.27 134.25 2.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -173.64 170.39 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.55 152.65 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.81 156.59 11.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.65 116.55 0.39 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -179.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.53 141.93 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -82.12 144.85 30.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -155.5 -54.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -66.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.05 90.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -72.23 175.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -82.35 169.38 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -134.06 137.98 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.52 151.18 61.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.01 19.89 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.19 12.7 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -44.64 -30.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 10.8 m-85 -70.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -27.58 62.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.07 -43.97 77.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 40' ' ' PHE . 86.6 t -63.25 -61.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -43.13 -50.35 6.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -34.92 78.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 9.8 tp10 -66.48 -46.3 76.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.582 HD23 ' CD2' ' A' ' 40' ' ' PHE . 27.9 mt -61.04 -47.02 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -65.81 -11.2 44.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -53.28 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.483 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -85.36 -6.17 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 51.07 45.41 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG11 ' CG ' ' A' ' 91' ' ' TYR . 1.4 m -103.52 176.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -95.2 138.74 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CB ' HD22 ' A' ' 52' ' ' LEU . 10.2 mt-30 -39.99 -39.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.52 -60.3 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.8 t -40.62 -52.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CD2' HD23 ' A' ' 30' ' ' LEU . 52.3 t80 -63.14 -63.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.25 -37.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -51.12 49.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 6.3 m -82.93 6.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.36 -57.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.32 25.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 54.52 65.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.6 mmt-85 -136.9 175.12 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -94.21 -174.13 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.81 -51.16 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.29 -28.77 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -80.93 -67.89 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.449 HD22 ' CB ' ' A' ' 37' ' ' GLN . 21.0 tp -40.7 -37.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.62 30.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.9 -32.1 52.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' GLU . 78.9 mt -72.62 -42.25 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.07 -12.51 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 -48.61 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -85.46 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.565 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.5 mt-10 63.57 47.49 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.97 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.83 136.43 2.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.45 7.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.57 -37.19 18.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -114.1 -18.09 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' LEU . . . -37.93 141.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.1 m -76.83 146.42 37.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' SER . 12.9 pt20 -38.1 -44.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.7 p -49.11 -51.09 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 65' ' ' ALA . 9.7 mt -45.24 -40.39 7.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.3 t -54.25 -40.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.5 m-20 -78.26 -51.28 10.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' CD1' HD21 ' A' ' 69' ' ' LEU . 57.8 mt -47.88 -52.62 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -56.44 -46.46 80.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.48 -55.83 27.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.534 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.3 mtm -48.19 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -27.3 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.61 -35.02 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 43' ' ' VAL . 33.0 t80 -76.21 -46.75 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 56.7 mt -62.32 -13.74 31.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -80.86 -22.95 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 24.8 mt -62.98 159.81 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.98 142.32 27.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -42.88 -41.9 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -54.4 -41.11 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 16.3 mt-10 -67.24 -60.33 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.5 mtm105 -55.51 -44.92 77.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.44 -55.04 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.31 59.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 61.8 mt -44.96 -53.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.8 m-85 -57.64 -47.32 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -59.99 -46.0 90.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -40.01 74.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -52.86 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.12 79.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.36 151.53 9.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 115.25 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -165.52 112.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.44 117.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.84 114.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -177.98 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.34 101.45 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -178.88 109.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.3 157.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.87 130.19 3.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.49 113.21 1.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.81 95.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.06 5.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -174.84 70.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.455 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -95.75 166.58 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.17 74.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t 52.85 99.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.1 173.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.88 170.31 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.6 t -135.91 136.52 49.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.83 150.83 51.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.7 21.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.88 13.23 27.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -45.78 -34.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.3 m-85 -62.98 -59.28 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -54.8 -40.87 69.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -52.29 -54.21 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.6 t -48.63 -65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.51 -52.55 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 8.0 tp10 -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 40' ' ' PHE . 19.0 mt -60.43 -46.08 91.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -10.59 50.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -52.44 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.626 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.51 -5.67 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 53.41 43.36 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.46 171.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -94.38 140.62 29.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' CB ' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-30 -38.85 -34.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -66.22 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ALA . 3.9 t -40.16 -48.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CG ' HD23 ' A' ' 30' ' ' LEU . 25.2 t80 -66.37 -62.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -77.95 -41.11 37.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 9.1 m -96.09 7.94 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.589 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.58 -57.07 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -146.61 21.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 59.83 64.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 20.2 mmt-85 -142.8 172.37 12.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.7 p -95.89 -178.58 4.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.3 -53.6 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.92 -30.91 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 55' ' ' ILE . 1.1 tm? -83.25 -62.05 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD21 ' CB ' ' A' ' 37' ' ' GLN . 23.0 tp -46.2 -32.66 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -59.57 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.59 -25.99 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 51' ' ' LEU . 91.3 mt -77.24 -41.41 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.86 -14.32 60.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -93.62 -45.48 7.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.4 mttm -84.1 -38.45 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.565 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.4 mt-10 54.31 67.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.94 105.44 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.64 139.19 2.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.83 -34.34 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.8 p -113.67 -19.56 11.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -43.1 140.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.56 154.1 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.53 -50.37 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 p -46.86 -51.17 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 73' ' ' LEU . 1.2 tt -69.92 -52.93 20.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.23 -45.19 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.29 -41.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.8 m-20 -74.71 -47.66 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 69' ' ' LEU . 48.7 mt -55.85 -36.46 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -68.79 -44.96 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.97 -55.9 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 31.3 mtm -45.27 -59.5 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -33.19 63.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.85 -32.67 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 58.1 t80 -75.78 -38.48 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -77.56 -31.84 53.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.97 163.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.96 132.57 15.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.08 7.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.513 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.26 -38.79 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.513 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.55 -58.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.588 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -50.18 -40.35 46.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.05 -49.42 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -70.28 -47.38 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 55.8 mt -47.55 -57.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.626 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 23.1 m-85 -52.27 -51.29 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -56.33 -52.77 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -46.82 -51.7 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -55.21 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -58.56 -52.69 64.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -46.4 -57.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.91 -109.31 1.4 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.23 6.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.95 153.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.8 m -82.87 133.72 35.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.8 84.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.976 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -57.19 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.37 89.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -172.05 113.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.73 128.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.13 141.25 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.25 93.74 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.83 23.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.03 155.39 9.09 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.42 7.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -113.84 -71.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -169.11 176.44 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -167.76 -61.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.43 93.03 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.09 162.42 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 5.0 tt0 -86.6 143.43 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 39.8 t -118.27 134.09 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 152.63 75.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.83 15.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -93.96 11.44 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -40.77 -32.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.3 m-85 -65.83 -61.22 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -56.0 -36.61 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.88 -47.02 83.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG11 ' CE2' ' A' ' 40' ' ' PHE . 78.1 t -55.74 -66.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -43.49 -49.97 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -41.47 84.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 11.1 tp10 -63.96 -45.36 89.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 40' ' ' PHE . 18.8 mt -63.33 -44.32 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.51 -11.33 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -52.77 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.652 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.25 -6.75 59.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.2 t 53.34 43.51 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.535 HG11 ' CG ' ' A' ' 91' ' ' TYR . 2.0 m -107.12 160.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -79.48 138.69 37.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 61.3 mt-30 -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.5 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' CG1' ' HG3' ' A' ' 94' ' ' GLU . 11.5 t -41.16 -49.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 30' ' ' LEU . 30.5 t80 -65.51 -62.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.2 -32.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 40' ' ' PHE . 1.1 tpt85 -71.59 -51.49 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 5.9 m -84.52 7.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.33 -57.33 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -149.01 24.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 56.53 64.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.598 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 7.2 mmt-85 -139.35 -177.71 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 p -104.27 -169.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -88.23 -56.07 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.56 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -79.51 -68.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 56' ' ' LEU . 21.8 tp -39.73 -37.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -61.53 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.5 pt-20 -49.62 -32.14 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 51' ' ' LEU . 96.8 mt -71.85 -43.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 11.7 mt -75.27 -13.52 60.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -88.83 -49.45 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -83.83 -37.21 22.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.7 mt-10 59.26 46.7 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.83 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.87 139.28 2.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.51 -28.76 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.6 p -116.29 -12.48 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.13 172.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -110.2 155.07 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -42.07 -43.11 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -55.54 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -68.46 -54.45 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -43.78 -45.83 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.15 -42.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.6 m-20 -74.91 -50.53 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.472 ' CD1' HD21 ' A' ' 69' ' ' LEU . 66.7 mt -48.21 -46.98 35.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -65.37 -42.0 93.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.55 -54.36 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.56 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 26.9 mtm -49.94 -63.6 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -44.53 -34.29 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.79 -43.22 93.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.53 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 43.6 t80 -71.79 -36.76 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.95 -15.42 62.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -82.13 -15.75 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 mt -69.85 161.21 76.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.06 141.1 26.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -42.89 -41.45 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -55.11 -41.03 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' PRO . 17.1 mt-10 -67.01 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 14.0 mtm105 -55.25 -46.31 76.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -52.41 -51.45 59.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -44.87 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' GLU . 54.7 mt -52.02 -48.22 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -58.53 -47.57 83.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -67.68 -38.7 84.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -31.28 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 90' ' ' ILE . 6.8 tp10 -81.86 -40.29 22.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -57.04 -39.94 75.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.9 m 51.63 81.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.97 176.04 39.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.5 168.53 5.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.51 160.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.32 162.62 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.3 -65.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.78 128.46 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.22 155.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.956 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.3 130.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.96 88.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.431 1.082 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -108.24 102.32 45.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -174.75 2.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.14 154.53 2.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.64 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -135.65 -65.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.56 170.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p -168.24 113.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.9 147.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.31 139.71 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -179.27 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.82 126.69 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.09 151.16 53.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.47 19.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.09 12.21 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -44.87 -33.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.8 m-85 -65.91 -59.81 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -58.19 -33.58 69.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.64 -47.57 85.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 40' ' ' PHE . 65.3 t -55.42 -63.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -45.81 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -34.79 78.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 10.1 tp10 -67.23 -45.11 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 40' ' ' PHE . 24.0 mt -63.46 -44.54 94.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -10.61 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -52.41 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -88.08 -3.08 58.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.4 t 48.7 46.46 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.523 HG13 ' CG ' ' A' ' 91' ' ' TYR . 1.5 m -103.72 179.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.57 138.74 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -42.12 -27.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -77.96 -56.9 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.55 -45.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CD1' HD22 ' A' ' 30' ' ' LEU . 77.5 t80 -67.04 -63.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -49.64 -22.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 40' ' ' PHE . 3.0 tpt180 -76.64 -34.32 58.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 12.0 m -102.15 -9.33 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.632 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -80.85 -57.5 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.637 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.34 30.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 50.98 65.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.637 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 13.2 mmt-85 -136.17 175.32 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -98.69 -166.58 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -92.57 -48.22 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.17 -25.68 4.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 55' ' ' ILE . 1.1 tm? -89.12 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 tp -44.9 -34.29 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -62.83 -58.02 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.48 -29.81 37.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 51' ' ' LEU . 85.8 mt -73.67 -42.74 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.3 -14.25 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -91.09 -46.25 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -84.79 -37.2 21.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 50.6 mt-10 58.49 46.91 14.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.86 104.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.2 137.88 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -95.13 -27.32 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -114.29 -16.64 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.85 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLN . 6.4 p -116.04 153.26 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 26.7 pt20 -38.21 -43.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -56.39 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 1.7 tt -69.78 -51.92 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.57 -44.11 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 t -50.42 -40.53 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' LEU . 77.1 m-20 -76.29 -46.64 26.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.456 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 52.3 mt -53.58 -49.93 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -58.04 -46.68 84.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.68 -54.24 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -49.29 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -33.37 30.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.9 -36.28 75.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 43' ' ' VAL . 51.9 t80 -78.27 -30.29 48.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 52.2 mt -74.49 -15.56 60.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -83.12 -23.43 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 16.7 mt -52.12 165.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 135.15 18.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -45.78 -42.57 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.19 -35.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -70.99 -59.31 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -50.14 -43.82 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -54.35 -48.96 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -70.44 -47.19 61.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 88.5 mt -49.79 -52.17 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.6 m-85 -57.98 -40.95 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.78 -52.48 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.89 61.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.56 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -55.55 -50.1 70.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.27 79.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.04 159.74 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 167.33 27.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.2 m 66.07 121.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.99 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.0 t -157.2 -59.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.66 93.87 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -177.3 117.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.65 105.95 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p 175.14 151.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.966 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.65 130.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.97 -179.57 19.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 144.21 51.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.73 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.25 146.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.91 41.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.7 p -144.69 129.66 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -141.36 167.47 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -158.6 -60.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.7 153.46 19.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.05 145.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -124.09 178.69 5.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.01 134.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.22 150.18 37.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.66 21.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.98 10.0 41.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -43.26 -33.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 21.3 m-85 -65.2 -57.67 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -56.94 -30.42 64.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.08 -62.18 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -44.15 -42.79 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.21 -38.93 72.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.2 tp10 -63.27 -47.85 80.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.576 HD23 ' CD2' ' A' ' 40' ' ' PHE . 22.5 mt -59.87 -47.11 87.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -10.78 49.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -52.28 4.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.664 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.66 -6.61 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 t 53.67 43.32 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.29 168.95 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.8 146.49 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -48.07 -23.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.04 -60.23 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG1' ' HG3' ' A' ' 94' ' ' GLU . 3.2 t -40.61 -46.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD2' HD23 ' A' ' 30' ' ' LEU . 32.6 t80 -67.18 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -38.31 -31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.8 tpt180 -71.84 -53.45 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 40' ' ' PHE . 10.7 m -83.33 6.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -102.2 -57.45 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -152.86 31.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t30 51.35 65.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.605 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 2.3 mmt180 -137.96 -178.35 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.48 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 70.3 p -104.02 -150.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -105.13 -51.96 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.99 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -84.86 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.1 tp -41.23 -29.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 51' ' ' LEU . 6.5 t -65.52 -52.64 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.4 pt-20 -58.97 -36.26 74.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 51' ' ' LEU . 69.6 mt -69.37 -15.3 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -105.01 -14.58 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -91.54 -55.87 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -26.46 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 23' ' ' TYR . 58.1 mt-10 51.28 52.66 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.82 104.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -43.37 136.06 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -34.18 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.8 p -113.76 -19.77 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.48 145.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 147.3 38.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -42.14 -45.31 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -44.89 64.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 73' ' ' LEU . 2.0 tt -75.12 -55.45 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 mt -44.29 -44.75 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -48.88 -40.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 73.6 m-20 -76.35 -49.18 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 69' ' ' LEU . 60.7 mt -51.22 -51.43 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.82 -44.18 90.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -57.57 -51.1 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.573 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.0 mtm -53.37 -61.2 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -48.07 -31.53 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.0 -35.56 74.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.457 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 42.1 t80 -77.27 -37.26 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.55 -14.75 63.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -80.07 -31.89 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -47.59 163.7 0.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 132.44 15.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -42.15 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.516 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.06 -38.54 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.516 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.73 -58.36 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.5 mtm105 -49.21 -47.94 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -50.85 -46.54 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -71.06 -47.76 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 94' ' ' GLU . 61.7 mt -47.81 -54.84 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.664 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 29.5 m-85 -55.61 -42.71 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.33 -49.02 71.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -21.71 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 90' ' ' ILE . 5.7 tp10 -84.0 -43.1 15.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -46.14 -42.11 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t 63.61 73.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.95 154.01 8.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.35 12.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.07 154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.57 149.73 29.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p 179.89 168.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 p 59.32 157.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.34 87.15 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -165.44 138.61 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.47 152.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.87 108.29 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.67 107.6 3.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.7 12.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -164.78 153.56 11.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.03 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -115.07 -70.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -175.57 127.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.4 80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.68 81.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.6 m -67.57 176.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.77 172.66 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.89 138.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.8 154.53 53.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.6 21.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.79 17.34 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -51.71 -36.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 30.0 m-85 -60.99 -56.31 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.13 -34.63 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -59.0 -47.88 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.3 -65.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -41.84 -61.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -51.36 -45.29 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 10.5 tp10 -55.73 -51.23 68.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 40' ' ' PHE . 12.8 mt -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.33 -11.1 49.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -52.96 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.79 -5.81 59.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.0 t 51.66 43.96 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -104.29 169.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.412 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -88.14 139.43 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.62 -34.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.23 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.7 t -40.86 -49.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' O ' ' N ' ' A' ' 44' ' ' ALA . 29.9 t80 -65.28 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -36.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 14.2 m -99.85 7.51 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.594 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -102.55 -57.0 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -145.22 21.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.94 65.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.2 mmt180 -134.88 -173.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.1 p -104.07 -156.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.107 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.15 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.46 -34.61 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -75.12 -64.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' N ' HD13 ' A' ' 51' ' ' LEU . 24.7 tp -43.34 -48.41 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.72 -49.44 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -27.87 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 51' ' ' LEU . 83.3 mt -76.54 -19.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.2 mt -101.72 -16.3 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -60.54 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -78.81 -25.19 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.533 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.9 mt-10 49.65 48.66 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -46.56 104.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.02 139.28 3.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -88.26 -34.84 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -113.14 -21.44 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' THR . . . -39.67 141.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.62 151.55 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -43.9 -44.19 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 p -50.33 -47.18 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.9 tt -75.2 -54.39 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.9 -42.78 6.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 t -51.41 -42.64 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.1 m-20 -73.59 -46.84 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.44 ' CD1' HD23 ' A' ' 69' ' ' LEU . 60.1 mt -53.02 -51.41 61.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -53.68 -48.52 69.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . . . -57.56 -51.14 70.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.5 mtm -52.09 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -31.78 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.81 -38.51 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 80.6 t80 -75.03 -32.88 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -76.07 -17.84 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -79.67 -18.44 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.38 162.52 18.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 137.63 21.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.86 -46.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -50.45 -42.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.8 mt-10 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 6.8 mtm105 -53.44 -46.69 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.43 -55.21 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -48.75 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.3 mt -45.83 -53.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.646 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 20.2 m-85 -56.08 -49.07 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ASP . 2.9 tp-100 -56.89 -61.78 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' GLN . 2.1 t0 -39.67 -52.38 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.65 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -56.95 -52.78 63.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.36 97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.24 157.62 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.85 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.66 127.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.1 t -167.01 -61.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -163.36 153.09 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 109.959 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -179.08 155.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.68 156.1 6.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -178.53 166.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.65 131.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.07 95.67 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.89 113.64 56.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -119.74 100.75 48.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.72 8.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 55.95 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -167.5 166.48 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m -148.23 80.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.2 p 41.19 83.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.59 159.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 3.6 tt0 -82.05 143.51 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 41.7 t -111.04 121.74 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 153.76 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.69 16.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.31 13.29 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -47.32 -35.25 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.9 m-85 -66.12 -61.27 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -56.2 -29.88 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -64.3 -51.22 64.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 40' ' ' PHE . 87.0 t -54.06 -61.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.54 -58.67 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.33 -30.74 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.51 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.9 tp10 -69.12 -47.28 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 40' ' ' PHE . 25.7 mt -60.98 -41.73 97.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.94 -10.59 59.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -51.26 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -90.73 -5.69 55.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.8 t 53.08 40.8 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -103.76 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.418 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -80.81 139.77 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 37.6 mt-30 -39.58 -35.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.66 -63.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -44.12 -47.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD2' HD23 ' A' ' 30' ' ' LEU . 28.6 t80 -67.35 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -47.95 -26.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.47 -35.26 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.599 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 14.9 m -101.23 7.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . . . -102.35 -57.17 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.602 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -142.49 18.56 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 60.16 64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -136.64 -175.41 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -100.96 -165.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -94.49 -54.79 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.68 -26.18 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -83.89 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 41' ' ' ALA . 28.8 tp -43.9 -34.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -62.74 -54.21 42.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.92 -32.11 65.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 51' ' ' LEU . 64.4 mt -69.78 -39.13 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.48 -15.9 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -92.17 -42.48 9.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -87.21 -41.19 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 16.3 mt-10 59.57 45.26 13.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -47.67 105.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 1.3 m-20 -43.49 139.05 2.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 -35.32 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 p -113.66 -19.02 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.355 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.36 144.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -79.21 150.02 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -41.07 -47.09 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -48.43 -45.63 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.522 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -77.49 -53.94 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.73 -43.17 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.55 -42.93 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' LEU . 84.9 m-20 -76.71 -47.71 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 61.0 mt -50.57 -46.92 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.462 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 77.8 mtt180 -63.41 -44.79 93.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.55 64.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -48.49 -61.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -35.84 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.465 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 1.5 t-20 -67.8 -24.0 65.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 75.0 t80 -93.14 -27.96 16.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 26' ' ' VAL . 83.6 mt -81.05 -20.2 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.511 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 42.7 p30 -91.95 10.07 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.75 164.96 42.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.99 135.84 19.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -43.04 -44.33 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.11 -40.44 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -68.81 -59.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -51.53 -47.24 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.86 -60.69 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -49.23 76.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.9 mt -45.57 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -50.87 -48.69 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -55.54 -50.96 68.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.33 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.86 -63.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -47.53 -52.44 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.99 83.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 146.92 139.28 3.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.67 38.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -155.99 -61.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.2 t -122.61 -57.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.976 . . . . . . . . 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 . . . . . . . . . . . . . 0.1 OUTLIER -101.38 172.07 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.052 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -93.73 167.95 11.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.01 130.62 6.94 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.47 84.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.724 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -169.92 92.36 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.35 -121.94 1.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -74.99 118.7 72.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.07 4.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -177.9 105.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.259 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.2 7.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.58 140.45 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.25 134.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.29 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 m 51.35 62.03 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.53 178.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -91.23 173.61 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.63 149.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.447 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -100.5 152.34 37.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -101.76 2.97 39.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 19' ' ' SER . 1.3 tp -41.56 -37.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.4 m-85 -65.0 -61.55 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.15 -29.05 65.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -64.59 -57.5 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 65.6 t -46.3 -57.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -47.46 -53.57 13.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.55 -35.05 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 4.5 tp10 -65.97 -47.97 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.535 HD23 ' CG ' ' A' ' 40' ' ' PHE . 11.8 mt -60.35 -43.67 96.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -10.67 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -51.69 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.18 -6.07 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 7.0 t 54.15 42.5 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.9 m -107.45 174.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -100.04 140.58 34.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' SER . 14.4 mt-30 -37.12 -42.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 42' ' ' ARG . . . -56.98 -68.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG12 ' CG ' ' A' ' 94' ' ' GLU . 42.7 t -44.78 -58.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CG ' HD23 ' A' ' 30' ' ' LEU . 4.2 t80 -51.3 -44.63 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.61 75.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.2 tpt85 -64.64 -27.34 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.59 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 8.0 m -102.65 -32.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB3' ' CD1' ' A' ' 45' ' ' PHE . . . -61.36 -57.56 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.1 p90 -149.15 36.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 42.36 66.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -133.74 -176.44 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -101.05 -158.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.6 tt0 -101.65 -57.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.04 -29.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -83.18 -67.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.3 tp -42.44 -37.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -51.34 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 3.1 pt-20 -61.58 -32.56 72.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 51' ' ' LEU . 96.6 mt -69.67 -20.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 mt -98.73 -17.88 18.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -48.87 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -85.22 -20.17 30.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.567 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 41.9 mt-10 42.27 48.63 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -47.64 104.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 6.2 t0 -44.53 137.05 4.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -89.8 -35.61 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -113.54 -19.38 11.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -40.85 136.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.94 154.29 37.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -50.19 -37.04 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -42.81 86.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -77.99 -53.22 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -44.62 -46.6 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.63 -40.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 78.8 m-20 -79.26 -50.47 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 69' ' ' LEU . 65.6 mt -48.6 -43.66 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -62.28 -46.21 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.25 -57.09 14.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.508 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.4 mtm -46.06 -63.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.447 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -50.74 -29.35 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.35 -28.88 53.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' CG2' ' A' ' 43' ' ' VAL . 66.4 t80 -80.15 -35.22 36.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 62.2 mt -72.64 -15.55 61.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.73 -27.44 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.7 164.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.47 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.97 132.35 15.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -42.31 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.515 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.8 -38.67 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.5 -58.56 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.7 mtm105 -48.51 -40.19 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -49.17 74.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.61 -42.94 73.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 94.2 mt -53.37 -59.92 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.637 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 24.3 m-85 -49.53 -41.41 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -66.34 -53.89 30.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -45.05 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' CG ' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -52.88 -63.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -57.7 -51.34 69.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.17 138.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.54 -136.48 4.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 138.84 23.64 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.3 p -84.99 -58.6 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 p -65.4 145.61 55.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.78 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -154.48 170.23 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.63 164.21 35.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -152.53 165.85 33.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.14 -51.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.56 131.14 42.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -148.29 107.48 3.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -170.04 156.38 5.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -63.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m 61.36 139.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 70.03 164.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -150.13 -56.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB3' ' NH2' ' A' ' 74' ' ' ARG . 16.4 m -136.58 27.01 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.056 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 t 62.15 140.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.97 158.45 15.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -138.41 137.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 151.3 40.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -19.19 17.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -97.0 14.0 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -42.66 -32.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.6 m-85 -65.67 -59.71 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -57.03 -35.99 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.41 -52.24 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' CE2' ' A' ' 40' ' ' PHE . 73.7 t -51.43 -63.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.1 -50.08 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -43.75 97.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 40' ' ' PHE . 4.4 tm-20 -57.67 -44.13 85.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.559 HD21 ' CG ' ' A' ' 40' ' ' PHE . 19.8 mt -61.97 -49.67 75.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.76 -11.35 45.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -51.6 6.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.612 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -91.46 -2.83 57.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.5 t 51.03 46.2 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.523 HG11 ' CG ' ' A' ' 91' ' ' TYR . 2.0 m -106.76 176.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.485 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.07 138.75 34.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.461 ' CB ' HD21 ' A' ' 52' ' ' LEU . 15.8 mt-30 -40.42 -28.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . . . -72.45 -67.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.436 ' CG1' ' HB3' ' A' ' 94' ' ' GLU . 40.7 t -41.24 -57.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CD1' ' OE1' ' A' ' 29' ' ' GLU . 27.7 t80 -51.13 -38.97 55.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -70.13 -48.67 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' ASN . 2.1 tpt180 -49.28 -26.24 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.6 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 32.7 m -103.48 -48.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 45' ' ' PHE . . . -47.25 -58.07 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.618 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.4 p90 -150.4 43.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' PHE . 5.6 t-20 35.37 66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.618 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.81 176.25 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.2 p -95.3 -169.54 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 38' ' ' ALA . 15.2 tm0? -92.45 -56.69 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.43 -29.74 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' CD1' HD13 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -81.77 -62.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 37' ' ' GLN . 41.1 tp -47.63 -35.57 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -51.64 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.32 -28.49 69.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 51' ' ' LEU . 75.6 mt -73.45 -22.43 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.96 -19.52 19.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -83.95 -48.58 9.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -83.96 -37.97 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 15.7 mt-10 60.19 49.0 7.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' CB ' HD11 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -47.38 104.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 1.2 m-20 -44.63 137.08 4.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 1.55 7.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -89.06 -37.44 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -114.37 -17.69 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 61' ' ' ASP . . . -38.89 147.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.0 153.38 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.11 -45.6 22.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -37.1 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.517 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -84.63 -54.42 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 mt -45.6 -42.57 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.87 -39.61 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 3.2 m-20 -79.17 -51.81 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.517 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 69.0 mt -46.02 -39.52 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' NH2' ' HB3' ' A' ' 15' ' ' SER . 29.0 mtt180 -68.28 -44.31 75.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.26 -55.87 29.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.517 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 29.2 mtm -47.29 -64.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -51.44 -38.4 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.5 -38.46 89.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CZ ' ' CG2' ' A' ' 43' ' ' VAL . 88.2 t80 -74.72 -23.17 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.08 -21.57 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -74.89 -17.91 60.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.03 164.11 3.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.1 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.45 -37.87 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -60.77 -39.07 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.4 mm-40 -69.74 -59.17 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.6 mtm105 -44.68 -46.71 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.35 -41.26 75.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.89 -54.54 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.9 mt -43.69 -50.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.612 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.6 m-85 -58.48 -44.64 89.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -58.15 -44.87 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -38.1 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.436 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -59.51 -60.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -57.35 -49.34 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -47.15 102.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.56 -93.39 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.8 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' GLY . 8.4 t -72.45 -50.09 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.56 -85.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -90.83 155.63 45.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.28 14.93 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 16.62 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.2 tp -48.1 -38.67 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 25.7 m-85 -61.92 -60.43 3.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.89 -34.03 58.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -59.63 -56.95 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -52.73 -60.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 56' ' ' LEU . 6.9 mtp180 -44.48 -51.19 9.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.89 -45.83 92.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.3 tp10 -53.26 -48.79 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.1 mt -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -11.06 48.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -85.05 -4.79 59.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 52.13 42.96 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.669 HG23 ' N ' ' A' ' 36' ' ' SER . 1.9 m -103.66 178.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.669 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.77 137.35 41.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HB3' HD23 ' A' ' 52' ' ' LEU . 47.9 mt-30 -39.84 -30.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -67.86 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.772 HG13 ' HB3' ' A' ' 94' ' ' GLU . 42.1 t -45.82 -52.96 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.613 ' HA ' HG22 ' A' ' 43' ' ' VAL . 29.2 t80 -59.1 -65.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.7 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -42.34 -38.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -66.96 -43.45 83.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.613 HG22 ' HA ' ' A' ' 40' ' ' PHE . 8.9 m -91.71 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.67 -57.39 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -148.68 24.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.51 65.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -136.29 -175.8 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -107.04 -157.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 13.2 tt0 -97.67 -57.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.54 -28.77 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -84.9 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 41' ' ' ALA . 43.3 tp -46.41 -38.25 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -44.87 89.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 51' ' ' LEU . 75.6 mt -75.52 -20.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 27' ' ' ARG . 10.8 mt -98.33 -13.69 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -93.19 -49.39 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -84.48 -28.67 26.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 mt-10 49.33 48.83 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.8 104.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -44.06 138.09 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.34 9.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -90.96 -30.49 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' ALA . 16.6 p -113.42 -22.59 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.443 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.44 148.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.44 151.43 22.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 71' ' ' VAL . 11.7 pt20 -39.01 -44.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.13 -56.25 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 73' ' ' LEU . 2.3 tt -69.33 -50.56 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.77 -42.25 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.4 t -51.42 -41.05 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.8 -50.47 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 69' ' ' LEU . 68.6 mt -47.68 -52.51 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -55.36 -46.65 76.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.72 -56.82 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.5 mtm -46.65 -62.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.434 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -50.56 -27.06 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -74.45 -30.98 62.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 34.8 t80 -80.85 -38.46 28.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.51 -11.02 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.99 -30.42 24.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 82' ' ' LEU . 13.2 mt -47.68 163.9 0.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.57 16.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -45.1 -39.1 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.2 m -59.73 -39.17 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.7 mm-40 -70.48 -59.07 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -45.69 -43.02 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.71 -45.52 85.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -74.0 -52.51 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.414 HD11 HD13 ' A' ' 82' ' ' LEU . 93.8 mt -42.06 -49.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 18.9 m-85 -61.47 -49.57 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.79 -42.91 76.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -40.39 81.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.772 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -92.11 152.15 42.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.98 8.39 43.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 19' ' ' SER . 1.1 tp -41.01 -38.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.9 m-85 -63.05 -60.9 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -54.93 -32.21 61.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -62.2 -54.36 42.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -53.31 -60.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -44.86 -49.61 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -45.27 89.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.95 -49.39 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.538 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.8 mt -58.55 -48.73 79.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -10.97 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -90.56 -53.19 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.9 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 t 55.11 39.19 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.646 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m -105.83 163.97 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 35' ' ' VAL . 66.0 p -84.53 161.3 20.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.519 ' HB3' HD23 ' A' ' 52' ' ' LEU . 40.3 mt-30 -59.75 -29.65 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.55 -62.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HB3' ' A' ' 94' ' ' GLU . 38.9 t -43.27 -50.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' HA ' HG22 ' A' ' 43' ' ' VAL . 35.1 t80 -63.03 -64.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.726 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -44.35 -29.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -74.58 -41.62 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.658 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.4 m -95.11 8.02 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.4 24.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 55.14 65.13 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.6 mmt180 -135.35 -179.99 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.5 p -101.13 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -101.0 -48.8 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.42 -27.76 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.67 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -86.53 -68.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 41' ' ' ALA . 43.5 tp -40.06 -35.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -63.69 -57.63 9.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.55 -23.78 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' GLU . 92.5 mt -79.27 -42.64 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.49 -13.2 60.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -90.02 -48.87 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -85.06 -42.14 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 9.5 mt-10 64.94 45.87 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -47.05 104.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.14 139.14 3.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 0.17 9.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.73 -33.28 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . 9.0 p -113.64 -21.15 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.22 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.1 156.26 19.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 71' ' ' VAL . 11.4 mt-30 -48.28 -38.49 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -37.51 71.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.694 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -86.35 -53.69 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 62' ' ' PRO . 10.2 mt -45.41 -42.02 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.6 t -52.57 -39.72 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 82.4 m-20 -80.07 -51.0 9.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 69' ' ' LEU . 57.9 mt -48.84 -48.51 41.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -58.85 -46.43 87.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.16 -56.97 14.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.581 ' HE1' HD23 ' A' ' 73' ' ' LEU . 31.2 mtm -45.63 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -50.5 -28.9 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.14 -29.65 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.658 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 66.5 t80 -81.91 -35.74 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 44.3 mt -72.02 -12.25 61.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -84.96 -28.69 25.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.4 mt -45.66 164.71 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.75 15.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -44.29 -40.24 5.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.64 -39.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.0 mm-40 -69.53 -59.51 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.608 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -46.29 -48.25 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.85 -45.26 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -53.66 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -43.71 -52.37 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.658 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 18.2 m-85 -56.04 -48.62 75.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -56.16 -57.49 11.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -43.12 -53.2 5.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.724 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -93.32 152.91 41.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.7 17.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.08 10.17 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.3 tp -42.73 -38.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 29.8 m-85 -60.23 -59.26 5.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.01 -37.98 78.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -54.1 -53.08 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' GLU . 52.7 t -53.96 -66.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -39.99 -51.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.29 -41.05 98.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' VAL . 16.3 tp10 -60.62 -44.83 95.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.5 mt -63.81 -45.35 90.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.69 -11.11 59.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -50.26 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -91.86 -1.85 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER 47.59 49.08 16.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' N ' ' A' ' 36' ' ' SER . 1.6 m -103.8 178.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.668 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.38 135.76 37.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.706 ' HB3' HD23 ' A' ' 52' ' ' LEU . 49.7 mt-30 -41.94 -29.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.19 -61.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.713 HG13 ' HB3' ' A' ' 94' ' ' GLU . 53.3 t -43.16 -51.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.691 ' CG ' HD21 ' A' ' 30' ' ' LEU . 53.4 t80 -60.74 -64.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -43.25 -34.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -43.59 72.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG11 ' OE1' ' A' ' 94' ' ' GLU . 13.4 m -92.88 8.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.45 -57.42 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.606 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -149.73 26.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 55.35 65.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.1 mmt-85 -135.28 -172.62 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.3 p -107.99 -145.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 51' ' ' LEU . 13.5 tt0 -112.33 -55.63 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.39 -27.85 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -85.87 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.706 HD23 ' HB3' ' A' ' 37' ' ' GLN . 18.5 tp -41.85 -36.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -59.05 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.2 pt-20 -52.01 -31.13 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 82.1 mt -72.23 -43.6 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.6 -14.01 60.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -90.62 -48.15 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -83.63 -34.59 25.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.615 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 45.0 mt-10 57.17 46.23 19.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.576 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -46.73 104.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 3.1 m-20 -43.81 137.12 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -34.69 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' ALA . 10.7 p -113.25 -21.35 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.13 139.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -71.58 154.36 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.7 mt-30 -46.93 -38.93 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.98 68.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.717 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.57 -54.36 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.78 -45.08 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.8 t -48.96 -42.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.0 m-20 -78.16 -50.7 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.717 HD21 ' CD2' ' A' ' 69' ' ' LEU . 62.3 mt -47.23 -52.49 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -58.35 -44.25 88.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.42 -57.21 13.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.556 ' HE1' HD23 ' A' ' 73' ' ' LEU . 28.7 mtm -45.95 -64.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -49.15 -27.75 3.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -72.5 -35.12 68.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 65.9 t80 -77.81 -40.69 39.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.29 -13.1 34.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -81.76 -28.84 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 82' ' ' LEU . 14.0 mt -48.65 162.53 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.17 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.38 -40.14 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -58.59 -39.35 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.4 mm-40 -71.28 -58.55 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.45 -42.52 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -43.36 97.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -73.07 -51.58 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 83.0 mt -44.18 -55.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.654 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 22.7 m-85 -54.38 -46.91 73.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -53.85 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 -52.96 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.713 ' HB3' HG13 ' A' ' 39' ' ' VAL . 2.0 mp0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.62 HG21 ' HG3' ' A' ' 74' ' ' ARG . 46.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -79.72 150.75 73.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -14.57 21.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -102.24 12.16 37.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.796 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 tp -44.25 -27.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.1 m-85 -69.98 -58.87 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.96 -32.56 66.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -63.78 -43.07 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 22' ' ' ILE . 90.4 t -63.65 -62.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HG3' HD22 ' A' ' 56' ' ' LEU . 1.1 mtt180 -45.69 -45.63 14.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -69.35 -31.01 69.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 6.8 tp10 -70.16 -46.16 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.711 HD21 ' CG ' ' A' ' 40' ' ' PHE . 23.0 mt -63.29 -45.97 88.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -11.07 45.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -89.28 -53.55 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -86.1 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t 51.42 44.59 28.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.579 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.8 m -104.06 167.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.481 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.58 138.85 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' CB ' HD23 ' A' ' 52' ' ' LEU . 36.5 mt-30 -42.96 -28.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -76.17 -56.81 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG13 ' CB ' ' A' ' 94' ' ' GLU . 22.3 t -45.67 -48.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.711 ' CG ' HD21 ' A' ' 30' ' ' LEU . 77.9 t80 -65.72 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.32 -33.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -70.97 -51.4 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 40' ' ' PHE . 6.1 m -84.92 7.64 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.72 -57.43 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.55 25.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 t30 56.55 64.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -134.66 -175.23 3.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.1 p -101.15 -166.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -97.28 -39.9 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.2 -25.57 62.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -82.45 -60.26 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.62 HD11 HG11 ' A' ' 26' ' ' VAL . 33.2 tp -46.56 -39.62 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -44.67 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.47 HD11 HD11 ' A' ' 51' ' ' LEU . 84.4 mt -77.15 -24.44 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 27' ' ' ARG . 13.1 mt -91.21 -13.98 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -92.98 -46.25 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -85.62 -42.8 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.599 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.2 mt-10 62.87 45.43 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.533 ' CB ' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -46.85 104.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.695 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -42.74 137.78 2.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.07 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -89.34 -35.57 16.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -113.9 -20.67 10.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.65 140.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -69.19 145.6 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -41.15 -41.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -45.29 69.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.71 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -75.56 -54.58 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 62' ' ' PRO . 6.9 mt -43.26 -45.57 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -48.91 -43.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.7 m-20 -76.82 -50.73 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.71 HD21 ' CD2' ' A' ' 69' ' ' LEU . 66.8 mt -47.65 -47.38 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.62 ' HG3' HG21 ' A' ' 18' ' ' VAL . 34.4 mtt180 -65.13 -43.38 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.32 -55.52 32.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.556 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.3 mtm -47.9 -61.6 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -48.93 -28.94 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.72 -34.71 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.5 t80 -76.64 -41.42 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.93 -11.1 44.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -84.59 -13.63 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' OE2' ' A' ' 86' ' ' GLU . 21.9 mt -72.7 158.19 87.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.96 142.82 28.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -42.77 -42.82 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -53.42 -41.49 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' OE2' HD22 ' A' ' 82' ' ' LEU . 14.8 mt-10 -66.85 -60.06 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.6 mtm105 -54.59 -43.78 72.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.61 -56.5 14.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -67.75 -48.88 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 68.0 mt -45.06 -54.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.602 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 20.1 m-85 -56.35 -47.44 78.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.43 -55.48 33.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -40.16 22.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.496 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -88.83 154.8 50.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.68 14.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.02 11.4 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.732 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.5 tp -44.16 -34.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 19.5 m-85 -67.18 -58.15 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -60.77 -27.44 67.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.1 -48.87 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 22' ' ' ILE . 95.4 t -55.66 -58.17 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -46.84 -43.48 18.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -67.32 -38.78 85.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tp10 -62.12 -46.76 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' SER . 18.4 mt -63.37 -41.5 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.68 -10.88 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -51.06 5.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -88.59 -5.01 58.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 51.39 44.82 28.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -107.06 171.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.562 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -93.91 139.98 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.539 ' HB3' HD23 ' A' ' 52' ' ' LEU . 57.6 mt-30 -38.96 -38.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -62.43 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.542 HG13 ' CB ' ' A' ' 94' ' ' GLU . 37.2 t -40.07 -51.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' HA ' HG22 ' A' ' 43' ' ' VAL . 19.5 t80 -63.02 -59.55 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -48.58 -26.59 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.45 -35.16 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.692 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.5 m -102.27 7.67 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.21 -57.04 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.18 27.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 53.89 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.1 mmt180 -138.99 173.63 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.4 p -95.2 -163.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.1 tt0 -92.58 -58.19 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . . . -37.68 -33.84 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -79.01 -68.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' ' 51' ' ' LEU . 40.7 tp -41.93 -38.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -52.26 66.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.0 pt-20 -59.91 -32.21 70.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.441 HD11 HD11 ' A' ' 51' ' ' LEU . 98.3 mt -70.2 -23.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.42 -19.02 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -87.14 -45.93 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.3 -37.2 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 49.0 mt-10 57.66 45.33 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.82 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.85 138.85 3.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.99 -1.95 11.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.84 -31.1 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -113.42 -24.12 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.42 154.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.41 155.37 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.4 mt-30 -47.82 -40.51 21.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -44.65 74.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.639 HD22 HD11 ' A' ' 73' ' ' LEU . 1.5 tt -76.22 -56.61 4.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.8 mt -43.96 -40.95 5.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.7 t -52.42 -43.47 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' LEU . 75.9 m-20 -74.28 -49.27 23.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.649 HD23 ' HE1' ' A' ' 76' ' ' MET . 67.4 mt -47.55 -54.36 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -50.02 -49.72 49.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.12 -55.13 36.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.649 ' HE1' HD23 ' A' ' 73' ' ' LEU . 29.7 mtm -47.5 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.582 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -51.44 -33.66 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.41 -34.55 70.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.7 t80 -76.47 -34.54 58.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 37.5 mt -70.19 -12.49 61.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.83 -26.55 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.47 163.45 0.37 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.96 133.61 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -45.16 -39.35 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.446 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.1 m -59.61 -38.83 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.5 mm-40 -70.65 -59.03 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.97 -43.92 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -43.73 85.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -52.56 11.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.432 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mt -42.4 -51.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.616 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 18.9 m-85 -59.76 -47.06 87.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -56.54 -46.0 80.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -36.93 79.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.542 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.526 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -89.98 154.02 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.39 18.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.95 10.22 41.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.0 tp -44.64 -33.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 24.6 m-85 -65.7 -55.25 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.14 -34.6 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.89 -44.14 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 22' ' ' ILE . 74.0 t -60.09 -62.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -53.06 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -39.82 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 7.7 tp10 -60.75 -45.29 94.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 37' ' ' GLN . 22.1 mt -61.01 -47.49 86.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -10.59 45.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.92 -53.11 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.653 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.1 -5.4 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.1 t 54.32 41.41 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -106.9 164.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -87.8 139.73 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.664 ' HB3' HD23 ' A' ' 52' ' ' LEU . 29.9 mt-30 -38.79 -34.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.38 -66.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.799 HG13 ' HB3' ' A' ' 94' ' ' GLU . 4.8 t -40.8 -47.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.622 ' HA ' HG22 ' A' ' 43' ' ' VAL . 18.3 t80 -64.18 -60.18 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -45.29 -28.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -75.57 -39.66 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.625 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.4 m -96.72 6.89 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.71 -57.17 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.644 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -151.15 29.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 53.12 64.96 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 6.4 mmt180 -136.29 -175.22 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 68.2 p -104.29 -154.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -101.98 -59.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.01 -29.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -81.15 -66.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.675 ' N ' HD13 ' A' ' 51' ' ' LEU . 26.1 tp -43.98 -42.66 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.6 72.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' LEU . 1.4 pt-20 -67.85 -29.51 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 51' ' ' LEU . 76.8 mt -73.86 -18.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.0 -17.0 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -89.52 -50.11 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -83.88 -32.0 25.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.0 mt-10 53.27 47.36 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.507 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.77 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 m-20 -44.08 136.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.505 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.1 Cg_endo -74.98 -0.4 9.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -32.17 15.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -114.88 -15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -43.29 162.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.3 mt-30 -46.19 -42.53 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -38.86 68.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.688 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.53 -53.47 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.21 -43.4 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.9 t -52.55 -40.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.3 m-20 -77.78 -49.74 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.688 HD21 ' CD2' ' A' ' 69' ' ' LEU . 72.3 mt -46.34 -53.77 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -56.86 -45.96 82.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.56 -48.68 80.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.575 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.6 mtm -55.42 -65.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.585 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.52 -29.88 11.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -70.34 -37.36 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.625 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 49.4 t80 -76.79 -37.33 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 40' ' ' PHE . 51.0 mt -71.26 -13.47 61.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -83.83 -24.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 82' ' ' LEU . 16.7 mt -56.98 161.57 4.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.94 140.12 25.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.459 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -53.53 -41.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 15.5 mt-10 -67.16 -60.67 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -54.13 -45.12 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.23 -55.11 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -67.68 -46.78 71.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 67.6 mt -47.71 -57.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.653 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 21.7 m-85 -52.54 -47.07 66.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.74 -42.16 92.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.55 98.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.799 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 40.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -83.88 149.96 57.76 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.56 21.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.91 10.87 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.866 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 tp -42.93 -31.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 17.3 m-85 -67.28 -60.42 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.15 -35.93 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -59.33 -45.16 92.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 22' ' ' ILE . 57.7 t -57.87 -64.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -47.06 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -38.49 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' NH1' ' A' ' 87' ' ' ARG . 14.3 tp10 -66.52 -46.58 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 40' ' ' PHE . 22.5 mt -62.37 -45.29 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -10.55 52.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -89.97 -53.2 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.551 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.45 -2.98 58.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.6 t 47.86 47.37 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.672 HG23 ' N ' ' A' ' 36' ' ' SER . 1.5 m -103.72 179.03 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.672 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -97.26 135.96 38.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.809 ' HB3' HD23 ' A' ' 52' ' ' LEU . 53.2 mt-30 -40.64 -33.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.43 -64.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.895 HG13 ' HB3' ' A' ' 94' ' ' GLU . 66.4 t -41.47 -53.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.618 ' CG ' HD21 ' A' ' 30' ' ' LEU . 17.6 t80 -59.5 -56.53 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -52.21 -28.81 19.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -75.78 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.586 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 6.2 m -101.98 7.65 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.79 -57.16 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -147.86 25.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.38 64.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.4 mmt180 -140.03 176.56 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.1 p -99.04 -176.0 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.78 -45.64 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.64 -31.96 10.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.41 -62.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 37' ' ' GLN . 17.0 tp -46.52 -31.73 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -64.71 -50.86 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.11 -26.01 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 51' ' ' LEU . 71.0 mt -78.25 -42.12 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 13.3 mt -74.95 -12.85 60.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -90.83 -49.0 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -84.92 -42.6 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.7 mt-10 64.8 45.61 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.55 105.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -42.71 138.99 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.69 8.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -89.95 -31.13 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ALA . 69.8 p -114.13 -23.97 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.93 140.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.53 155.05 40.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -46.05 -48.5 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -52.43 16.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.617 HD22 HD11 ' A' ' 73' ' ' LEU . 1.7 tt -69.84 -51.08 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -45.25 -45.12 11.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.68 -38.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.7 m-20 -77.0 -51.71 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 69' ' ' LEU . 57.5 mt -51.17 -46.28 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 44.6 mtt180 -63.97 -41.53 97.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.71 -57.83 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.567 ' HE3' ' HA ' ' A' ' 73' ' ' LEU . 29.8 mtm -44.63 -57.99 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.453 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -54.17 -28.95 43.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.04 -36.27 61.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 36.4 t80 -76.23 -37.67 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.475 HD21 ' HE2' ' A' ' 40' ' ' PHE . 42.6 mt -70.32 -11.81 61.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -83.87 -17.6 40.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.433 HD22 ' CD ' ' A' ' 86' ' ' GLU . 20.2 mt -64.31 161.18 43.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.99 141.26 26.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -43.05 -41.51 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.4 m -54.91 -40.84 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 83' ' ' PRO . 18.8 mt-10 -67.68 -60.4 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.599 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 4.9 mtm105 -55.29 -42.48 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -57.4 -50.38 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.95 63.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.495 HG21 ' HB ' ' A' ' 43' ' ' VAL . 62.1 mt -48.29 -57.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.4 m-85 -51.45 -47.11 63.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -53.38 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.49 -55.74 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.895 ' HB3' HG13 ' A' ' 39' ' ' VAL . 2.4 mp0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -89.03 153.09 49.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.53 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.07 9.72 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.795 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 tp -44.07 -32.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.7 m-85 -68.6 -61.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -23.19 64.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -71.63 -39.06 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 22' ' ' ILE . 83.2 t -65.98 -62.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -46.14 3.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.25 -40.4 90.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 24.5 tp10 -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.617 HD21 ' CG ' ' A' ' 40' ' ' PHE . 20.4 mt -62.48 -45.89 90.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -68.57 -10.12 53.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -50.89 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -92.49 -1.52 56.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 46.93 50.41 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 36' ' ' SER . 1.4 m -104.12 176.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.602 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -93.24 139.1 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.941 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.2 -25.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.85 -53.4 6.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.471 HG13 ' CB ' ' A' ' 94' ' ' GLU . 24.2 t -48.45 -47.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.617 ' CG ' HD21 ' A' ' 30' ' ' LEU . 66.5 t80 -64.18 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -46.83 -25.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -79.2 -37.82 37.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.66 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 14.0 m -100.74 7.78 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.2 -56.99 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.65 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.96 25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.2 t30 55.38 65.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.2 mmt-85 -137.24 177.36 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.7 p -97.93 -155.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -102.31 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -84.16 -64.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.583 ' N ' HD13 ' A' ' 51' ' ' LEU . 14.4 tp -43.44 -41.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.53 -32.74 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLU . 97.2 mt -69.37 -47.87 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.98 -15.11 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -59.38 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -77.52 -39.1 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.627 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.0 mt-10 64.23 46.19 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 104.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.42 140.74 2.94 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.51 -34.87 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -113.02 -23.08 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.17 138.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.34 153.15 41.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -44.92 -46.44 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -51.0 34.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 73' ' ' LEU . 2.4 tt -70.6 -55.24 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -43.63 -45.81 7.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -48.28 -41.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.6 m-20 -74.84 -48.26 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 69' ' ' LEU . 58.1 mt -52.29 -52.38 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -54.49 -47.83 72.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.27 -49.63 75.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.5 mtm -53.09 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.678 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -48.76 -32.53 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -70.47 -34.34 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.66 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 79.1 t80 -78.0 -35.68 49.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.65 -15.59 63.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -77.06 -29.23 55.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD13 HD11 ' A' ' 90' ' ' ILE . 12.1 mt -48.47 163.36 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.09 16.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -40.93 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.88 -40.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 9.2 mm-40 -70.21 -58.9 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.66 -41.47 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -72.76 -51.19 20.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.487 HG21 ' HE1' ' A' ' 79' ' ' PHE . 98.8 mt -41.73 -50.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -61.5 -49.6 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.45 -50.03 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -32.68 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.471 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.57 151.88 37.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.11 17.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 10.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 tp -41.78 -35.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.7 m-85 -62.95 -61.28 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.58 -36.29 69.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -57.34 -54.77 43.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 22' ' ' ILE . 68.8 t -49.42 -61.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -42.03 -51.95 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.87 -42.2 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' CD ' ' CD2' ' A' ' 40' ' ' PHE . 3.6 tm-20 -57.29 -48.76 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' SER . 16.8 mt -60.35 -44.55 95.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -10.32 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -52.73 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.68 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.14 -5.96 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.0 t 53.08 42.53 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.609 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -105.58 163.04 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -84.77 139.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.708 ' HB3' HD23 ' A' ' 52' ' ' LEU . 47.0 mt-30 -38.47 -36.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.03 -61.1 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -41.9 -48.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 44' ' ' ALA . 53.0 t80 -67.02 -63.41 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . . . -39.31 -30.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -74.77 -56.2 5.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.682 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.8 m -80.58 4.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.587 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -99.74 -57.72 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.41 24.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 54.67 65.26 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 8.4 mmt180 -136.78 -177.81 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.2 p -101.13 -151.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -104.68 -54.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.81 -41.83 2.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -69.82 -66.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.727 ' N ' HD13 ' A' ' 51' ' ' LEU . 34.7 tp -43.25 -48.89 6.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -49.62 -49.45 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.22 -27.97 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.441 HD11 HD11 ' A' ' 51' ' ' LEU . 94.5 mt -76.17 -21.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -97.48 -14.31 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -92.93 -45.55 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -87.25 -37.21 17.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 30.1 mt-10 58.36 46.24 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.79 105.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.44 136.32 3.21 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -74.96 0.68 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -87.75 -35.01 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.9 p -117.81 -9.44 10.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -44.51 156.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.5 150.37 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -42.45 -48.45 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -43.5 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.665 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.6 tt -77.74 -54.95 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 73' ' ' LEU . 6.9 mt -43.2 -47.23 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -50.3 -42.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.5 m-20 -73.51 -48.99 28.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 62' ' ' PRO . 72.3 mt -46.23 -51.32 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -59.3 -51.75 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.1 mtm -53.03 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.421 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.5 tp60 -54.28 -32.79 57.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.44 -37.46 83.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.682 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 69.1 t80 -75.85 -34.7 60.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.68 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.53 -28.76 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.39 164.5 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -75.0 133.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.35 -40.38 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.56 -40.06 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 7.5 mm-40 -69.57 -59.27 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.618 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.48 -48.54 13.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -46.3 66.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -73.02 -52.54 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.545 HG21 ' HE1' ' A' ' 79' ' ' PHE . 96.7 mt -43.34 -52.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.68 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 22.7 m-85 -58.7 -45.49 89.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.74 -43.12 99.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -46.42 84.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.43 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -90.63 152.18 44.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.96 20.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.15 10.4 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.685 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.9 tp -43.13 -34.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -66.89 -57.07 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -24.22 67.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.87 -42.25 70.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 22' ' ' ILE . 62.2 t -61.07 -55.76 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -46.75 -49.34 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.16 -45.53 94.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' CD ' ' NH1' ' A' ' 87' ' ' ARG . 10.1 tp10 -53.81 -47.56 70.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' SER . 8.0 mt -63.94 -42.23 97.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -69.85 -10.64 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -51.58 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -89.38 -3.11 58.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.6 t 49.53 45.77 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' N ' ' A' ' 36' ' ' SER . 1.7 m -103.82 178.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.662 ' N ' HG23 ' A' ' 35' ' ' VAL . 91.3 p -98.35 156.43 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.589 ' HB3' HD23 ' A' ' 52' ' ' LEU . 21.8 mt-30 -53.94 -35.99 62.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.84 -60.1 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' A' ' 94' ' ' GLU . 40.1 t -43.25 -52.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 44' ' ' ALA . 37.3 t80 -63.75 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.685 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -41.37 -31.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -73.54 -49.57 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.692 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 12.3 m -86.91 8.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.36 -57.39 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.673 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -146.5 20.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 38.5 t-20 58.41 65.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.1 mmt-85 -136.8 -173.13 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 9.5 p -102.96 -143.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HG3' ' CB ' ' A' ' 37' ' ' GLN . 55.1 tt0 -113.71 -52.2 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.87 -32.93 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' O ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -79.87 -58.87 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.685 HD22 ' HB2' ' A' ' 41' ' ' ALA . 22.4 tp -49.11 -47.06 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ARG . 3.1 t -49.85 -53.16 27.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -58.7 -30.16 67.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 75.2 mt -74.03 -19.86 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.52 -15.44 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -87.7 -55.11 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.54 -26.69 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.4 mt-10 53.52 50.97 16.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -48.11 104.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -44.77 138.01 4.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -90.37 -33.37 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.1 p -113.25 -21.18 11.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.6 142.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.34 157.2 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -47.59 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.3 -48.54 46.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD22 HD11 ' A' ' 73' ' ' LEU . 1.5 tt -74.21 -51.81 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -45.46 -47.95 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.85 -39.2 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.8 m-20 -77.72 -50.5 12.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.663 HD23 ' HE1' ' A' ' 76' ' ' MET . 71.6 mt -49.0 -45.99 43.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.92 -44.52 92.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.94 -51.16 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.663 ' HE1' HD23 ' A' ' 73' ' ' LEU . 30.0 mtm -52.44 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.685 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -48.73 -31.6 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.85 -35.22 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 40.8 t80 -76.95 -34.04 57.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 58.7 mt -70.79 -17.83 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -74.13 -28.1 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 12.8 mt -51.49 163.19 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -44.47 -42.52 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.519 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.6 -38.94 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.17 -58.74 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -48.76 -41.31 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.35 -47.99 71.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -45.55 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.42 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 92.0 mt -50.44 -53.95 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -56.06 -42.77 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.72 -56.94 15.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -36.74 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.476 ' CG ' HG13 ' A' ' 39' ' ' VAL . 1.9 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -85.32 151.2 56.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.55 21.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.32 14.41 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 77' ' ' GLN . 2.1 tp -45.91 -33.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 18.1 m-85 -66.09 -53.83 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.14 -36.16 79.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -57.91 -56.47 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' ILE . 71.9 t -48.96 -60.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -41.96 -61.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.8 t70 -52.27 -44.89 65.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.5 tp10 -54.17 -47.18 72.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 40' ' ' PHE . 8.8 mt -65.26 -39.24 92.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.8 -20.21 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -85.5 -48.22 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.99 -5.2 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t 50.03 45.28 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -105.85 173.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.597 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.24 138.12 34.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.776 ' HB3' HD23 ' A' ' 52' ' ' LEU . 34.0 mt-30 -38.82 -36.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -67.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.2 t -40.23 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 21.3 t80 -60.74 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.177 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -42.06 -37.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -67.2 -50.69 59.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 13.1 m -85.17 8.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.56 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.49 25.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.419 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 46.0 t-20 55.73 65.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -140.15 174.31 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -94.21 -170.14 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -90.47 -49.34 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.16 -27.36 1.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -85.75 -67.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 37' ' ' GLN . 23.3 tp -40.29 -36.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -59.64 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.8 pt-20 -53.68 -34.59 59.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.419 HD11 HD21 ' A' ' 51' ' ' LEU . 51.3 mt -67.71 -34.56 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' CD1' ' NE2' ' A' ' 37' ' ' GLN . 13.5 mt -83.77 -15.37 48.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -93.72 -43.35 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.509 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.6 mttm -84.78 -36.28 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.623 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 54.9 mt-10 53.31 67.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.531 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.17 105.46 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.721 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.7 136.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.492 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.06 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -34.25 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -115.4 -14.3 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -42.62 160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -89.31 148.52 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -41.78 -47.27 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -43.83 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -75.03 -52.31 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.5 mt -45.48 -43.56 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.04 -40.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.6 m-20 -77.85 -50.14 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.679 HD21 ' CD2' ' A' ' 69' ' ' LEU . 55.7 mt -51.51 -38.94 56.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -68.92 -43.38 75.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.85 -56.87 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.502 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.4 mtm -44.66 -61.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.57 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -50.81 -32.48 20.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.04 -39.7 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.71 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 53.2 t80 -73.36 -33.15 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.634 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 56.1 mt -72.9 -12.11 60.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -87.71 -23.38 24.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 16.0 mt -51.21 165.0 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.86 15.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.51 -39.27 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.442 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.2 m -59.62 -39.08 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.5 mm-40 -68.97 -60.02 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -46.45 -46.73 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -43.02 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -73.55 -54.39 8.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.5 HG22 HG11 ' A' ' 43' ' ' VAL . 94.3 mt -43.32 -53.18 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 17.5 m-85 -55.57 -46.18 77.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -55.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.414 ' HG2' HG13 ' A' ' 43' ' ' VAL . 2.1 mp0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -83.52 151.18 61.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.01 19.89 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.19 12.7 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.833 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.2 tp -44.64 -30.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 10.8 m-85 -70.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -27.58 62.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.07 -43.97 77.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 22' ' ' ILE . 86.6 t -63.25 -61.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -43.13 -50.35 6.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -34.92 78.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 9.8 tp10 -66.48 -46.3 76.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.586 HD21 ' CG ' ' A' ' 40' ' ' PHE . 27.9 mt -61.04 -47.02 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -65.81 -11.2 44.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -53.28 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.531 ' HB3' HG13 ' A' ' 35' ' ' VAL . . . -85.36 -6.17 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 51.07 45.41 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 36' ' ' SER . 1.4 m -103.52 176.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.621 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -95.2 138.74 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' CB ' HD23 ' A' ' 52' ' ' LEU . 10.2 mt-30 -39.99 -39.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.52 -60.3 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 94' ' ' GLU . 39.8 t -40.62 -52.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CG ' HD21 ' A' ' 30' ' ' LEU . 52.3 t80 -63.14 -63.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -41.25 -37.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -51.12 49.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 40' ' ' PHE . 6.3 m -82.93 6.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.36 -57.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.32 25.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 54.52 65.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.616 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.6 mmt-85 -136.9 175.12 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -94.21 -174.13 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.81 -51.16 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.29 -28.77 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.642 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -80.93 -67.89 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 51' ' ' LEU . 21.0 tp -40.7 -37.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.62 30.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.9 -32.1 52.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' GLU . 78.9 mt -72.62 -42.25 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.07 -12.51 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 -48.61 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -85.46 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.615 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.5 mt-10 63.57 47.49 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.562 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.97 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.643 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.6 m-20 -42.83 136.43 2.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 1.45 7.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.57 -37.19 18.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -114.1 -18.09 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -37.93 141.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.1 m -76.83 146.42 37.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 71' ' ' VAL . 12.9 pt20 -38.1 -44.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.7 p -49.11 -51.09 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.677 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.7 mt -45.24 -40.39 7.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 67' ' ' GLN . 4.3 t -54.25 -40.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.5 m-20 -78.26 -51.28 10.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 69' ' ' LEU . 57.8 mt -47.88 -52.62 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.504 ' NH1' HD22 ' A' ' 70' ' ' LEU . 31.9 mtt85 -56.44 -46.46 80.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -55.48 -55.83 27.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.574 ' HE1' HD23 ' A' ' 73' ' ' LEU . 29.3 mtm -48.19 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -27.3 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.61 -35.02 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 33.0 t80 -76.21 -46.75 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 56.7 mt -62.32 -13.74 31.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -80.86 -22.95 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.46 HD22 ' OE2' ' A' ' 86' ' ' GLU . 24.8 mt -62.98 159.81 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.98 142.32 27.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -42.88 -41.9 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.44 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -54.4 -41.11 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 16.3 mt-10 -67.24 -60.33 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.5 mtm105 -55.51 -44.92 77.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.44 -55.04 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.31 59.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 61.8 mt -44.96 -53.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.8 m-85 -57.64 -47.32 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -59.99 -46.0 90.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -40.01 74.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.476 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -86.83 150.83 51.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.7 21.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.88 13.23 27.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 tp -45.78 -34.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.3 m-85 -62.98 -59.28 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -54.8 -40.87 69.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -52.29 -54.21 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 22' ' ' ILE . 66.6 t -48.63 -65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.51 -52.55 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 8.0 tp10 -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 34' ' ' SER . 19.0 mt -60.43 -46.08 91.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -10.59 50.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -52.44 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.626 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.51 -5.67 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 53.41 43.36 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.46 171.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -94.38 140.62 29.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' CB ' HD23 ' A' ' 52' ' ' LEU . 30.4 mt-30 -38.85 -34.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -66.22 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' HB3' ' A' ' 94' ' ' GLU . 3.9 t -40.16 -48.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.59 ' HA ' HG22 ' A' ' 43' ' ' VAL . 25.2 t80 -66.37 -62.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -77.95 -41.11 37.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.656 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.1 m -96.09 7.94 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.58 -57.07 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -146.61 21.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 59.83 64.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 20.2 mmt-85 -142.8 172.37 12.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.7 p -95.89 -178.58 4.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.3 -53.6 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.92 -30.91 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.1 tm? -83.25 -62.05 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.542 ' N ' HD13 ' A' ' 51' ' ' LEU . 23.0 tp -46.2 -32.66 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -59.57 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.59 -25.99 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.474 HD11 HD11 ' A' ' 51' ' ' LEU . 91.3 mt -77.24 -41.41 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.86 -14.32 60.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -93.62 -45.48 7.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.4 mttm -84.1 -38.45 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.609 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.4 mt-10 54.31 67.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -68.94 105.44 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.682 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.64 139.19 2.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.83 -34.34 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.8 p -113.67 -19.56 11.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -43.1 140.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.56 154.1 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.53 -50.37 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 p -46.86 -51.17 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 73' ' ' LEU . 1.2 tt -69.92 -52.93 20.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.23 -45.19 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.29 -41.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.8 m-20 -74.71 -47.66 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 69' ' ' LEU . 48.7 mt -55.85 -36.46 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -68.79 -44.96 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -61.97 -55.9 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 31.3 mtm -45.27 -59.5 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.584 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -55.36 -33.19 63.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.85 -32.67 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.656 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 58.1 t80 -75.78 -38.48 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -77.56 -31.84 53.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.5 mt -46.97 163.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.96 132.57 15.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.08 7.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.513 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.26 -38.79 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.513 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.55 -58.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.588 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -50.18 -40.35 46.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.05 -49.42 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -70.28 -47.38 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 87' ' ' ARG . 55.8 mt -47.55 -57.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD1' HG11 ' A' ' 35' ' ' VAL . 23.1 m-85 -52.27 -51.29 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -56.33 -52.77 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -46.82 -51.7 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.455 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 152.63 75.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.83 15.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -93.96 11.44 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.745 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.1 tp -40.77 -32.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.3 m-85 -65.83 -61.22 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -56.0 -36.61 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.88 -47.02 83.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 22' ' ' ILE . 78.1 t -55.74 -66.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -43.49 -49.97 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -41.47 84.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 11.1 tp10 -63.96 -45.36 89.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.8 mt -63.33 -44.32 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.51 -11.33 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -52.77 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.652 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.25 -6.75 59.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.2 t 53.34 43.51 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.633 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -107.12 160.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.48 138.69 37.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.944 ' HB3' HD23 ' A' ' 52' ' ' LEU . 61.3 mt-30 -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -65.5 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.955 HG13 ' HG3' ' A' ' 94' ' ' GLU . 11.5 t -41.16 -49.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.761 ' CG ' HD21 ' A' ' 30' ' ' LEU . 30.5 t80 -65.51 -62.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.2 -32.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 40' ' ' PHE . 1.1 tpt85 -71.59 -51.49 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 40' ' ' PHE . 5.9 m -84.52 7.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.513 ' CB ' ' CD1' ' A' ' 45' ' ' PHE . . . -102.33 -57.33 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -149.01 24.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 56.53 64.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.598 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 7.2 mmt-85 -139.35 -177.71 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 p -104.27 -169.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 44.1 tt0 -88.23 -56.07 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.56 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -79.51 -68.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.944 HD23 ' HB3' ' A' ' 37' ' ' GLN . 21.8 tp -39.73 -37.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -61.53 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.5 pt-20 -49.62 -32.14 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLU . 96.8 mt -71.85 -43.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 11.7 mt -75.27 -13.52 60.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -88.83 -49.45 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -83.83 -37.21 22.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.7 mt-10 59.26 46.7 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.517 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.83 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -43.87 139.28 2.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.51 -28.76 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.6 p -116.29 -12.48 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -48.13 172.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -110.2 155.07 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 71' ' ' VAL . 18.6 pt20 -42.07 -43.11 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -55.54 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.674 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -68.46 -54.45 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -43.78 -45.83 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.7 t -50.15 -42.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.6 m-20 -74.91 -50.53 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' A' ' 69' ' ' LEU . 66.7 mt -48.21 -46.98 35.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -65.37 -42.0 93.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.55 -54.36 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.56 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 26.9 mtm -49.94 -63.6 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -44.53 -34.29 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.79 -43.22 93.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.488 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 43.6 t80 -71.79 -36.76 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.95 -15.42 62.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -82.13 -15.75 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 82' ' ' LEU . 23.8 mt -69.85 161.21 76.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.06 141.1 26.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -42.89 -41.45 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.441 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.4 m -55.11 -41.03 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' PRO . 17.1 mt-10 -67.01 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 14.0 mtm105 -55.25 -46.31 76.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -52.41 -51.45 59.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -44.87 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' GLU . 54.7 mt -52.02 -48.22 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -58.53 -47.57 83.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -67.68 -38.7 84.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -31.28 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.955 ' HG3' HG13 ' A' ' 39' ' ' VAL . 6.8 tp10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -86.09 151.16 53.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.47 19.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.09 12.21 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.4 tp -44.87 -33.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.8 m-85 -65.91 -59.81 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -58.19 -33.58 69.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.64 -47.57 85.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 22' ' ' ILE . 65.3 t -55.42 -63.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -45.81 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -34.79 78.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 10.1 tp10 -67.23 -45.11 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' CG ' ' A' ' 40' ' ' PHE . 24.0 mt -63.46 -44.54 94.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -10.61 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -52.41 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.08 -3.08 58.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.4 t 48.7 46.46 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.674 HG23 ' N ' ' A' ' 36' ' ' SER . 1.5 m -103.72 179.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.674 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.57 138.74 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HB3' HD23 ' A' ' 52' ' ' LEU . 31.6 mt-30 -42.12 -27.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -77.96 -56.9 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 94' ' ' GLU . 24.2 t -48.55 -45.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.769 ' CG ' HD21 ' A' ' 30' ' ' LEU . 77.5 t80 -67.04 -63.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -49.64 -22.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 40' ' ' PHE . 3.0 tpt180 -76.64 -34.32 58.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.802 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 12.0 m -102.15 -9.33 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -80.85 -57.5 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.34 30.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 50.98 65.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 13.2 mmt-85 -136.17 175.32 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -98.69 -166.58 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -92.57 -48.22 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.17 -25.68 4.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.1 tm? -89.12 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 41' ' ' ALA . 19.0 tp -44.9 -34.29 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -62.83 -58.02 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.48 -29.81 37.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.457 HD11 HD11 ' A' ' 51' ' ' LEU . 85.8 mt -73.67 -42.74 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.3 -14.25 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -91.09 -46.25 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -84.79 -37.2 21.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 50.6 mt-10 58.49 46.91 14.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.86 104.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -44.2 137.88 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -95.13 -27.32 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -114.29 -16.64 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -47.85 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLN . 6.4 p -116.04 153.26 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 71' ' ' VAL . 26.7 pt20 -38.21 -43.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -56.39 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.695 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.7 tt -69.78 -51.92 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.57 -44.11 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.1 t -50.42 -40.53 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' LEU . 77.1 m-20 -76.29 -46.64 26.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 69' ' ' LEU . 52.3 mt -53.58 -49.93 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -58.04 -46.68 84.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.68 -54.24 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -49.29 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.618 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.45 -33.37 30.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.9 -36.28 75.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 51.9 t80 -78.27 -30.29 48.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 52.2 mt -74.49 -15.56 60.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -83.12 -23.43 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 16.7 mt -52.12 165.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 135.15 18.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -45.78 -42.57 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.19 -35.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -70.99 -59.31 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -50.14 -43.82 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -54.35 -48.96 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -70.44 -47.19 61.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 88.5 mt -49.79 -52.17 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.6 m-85 -57.98 -40.95 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.78 -52.48 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.89 61.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.668 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.22 150.18 37.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.66 21.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.98 10.0 41.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 tp -43.26 -33.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -65.2 -57.67 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -56.94 -30.42 64.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 52' ' ' LEU . 77.4 t -58.08 -62.18 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -44.15 -42.79 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.21 -38.93 72.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.2 tp10 -63.27 -47.85 80.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' SER . 22.5 mt -59.87 -47.11 87.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -10.78 49.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -52.28 4.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.664 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.66 -6.61 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 t 53.67 43.32 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.617 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.29 168.95 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.504 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.8 146.49 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.629 ' O ' HD23 ' A' ' 52' ' ' LEU . 38.5 mt-30 -48.07 -23.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.04 -60.23 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.912 HG13 ' HG3' ' A' ' 94' ' ' GLU . 3.2 t -40.61 -46.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 32.6 t80 -67.18 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -38.31 -31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.8 tpt180 -71.84 -53.45 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.641 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.7 m -83.33 6.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -102.2 -57.45 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -152.86 31.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t30 51.35 65.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 2.3 mmt180 -137.96 -178.35 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.48 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 70.3 p -104.02 -150.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -105.13 -51.96 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.99 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.86 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 51' ' ' LEU . 29.1 tp -41.23 -29.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 51' ' ' LEU . 6.5 t -65.52 -52.64 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.4 pt-20 -58.97 -36.26 74.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 51' ' ' LEU . 69.6 mt -69.37 -15.3 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -105.01 -14.58 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -91.54 -55.87 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -26.46 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.58 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 58.1 mt-10 51.28 52.66 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.82 104.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -43.37 136.06 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.513 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -34.18 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.8 p -113.76 -19.77 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.48 145.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 147.3 38.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 71' ' ' VAL . 5.4 mt-30 -42.14 -45.31 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -44.89 64.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.696 HD22 HD11 ' A' ' 73' ' ' LEU . 2.0 tt -75.12 -55.45 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 62' ' ' PRO . 7.5 mt -44.29 -44.75 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.0 t -48.88 -40.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 73.6 m-20 -76.35 -49.18 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.696 HD11 HD22 ' A' ' 69' ' ' LEU . 60.7 mt -51.22 -51.43 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.82 -44.18 90.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.57 -51.1 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.573 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.0 mtm -53.37 -61.2 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.2 tp60 -48.07 -31.53 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.0 -35.56 74.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.641 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.1 t80 -77.27 -37.26 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD22 ' OE1' ' A' ' 29' ' ' GLU . 65.7 mt -68.55 -14.75 63.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -80.07 -31.89 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 82' ' ' LEU . 12.4 mt -47.59 163.7 0.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 132.44 15.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -42.15 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.516 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.06 -38.54 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.516 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.73 -58.36 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.5 mtm105 -49.21 -47.94 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -50.85 -46.54 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -71.06 -47.76 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 94' ' ' GLU . 61.7 mt -47.81 -54.84 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.664 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 29.5 m-85 -55.61 -42.71 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.33 -49.02 71.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -21.71 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.912 ' HG3' HG13 ' A' ' 39' ' ' VAL . 5.7 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -87.8 154.53 53.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.6 21.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.79 17.34 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.7 tp -51.71 -36.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 30.0 m-85 -60.99 -56.31 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.13 -34.63 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -59.0 -47.88 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' ILE . 95.0 t -56.3 -65.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -41.84 -61.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -51.36 -45.29 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 10.5 tp10 -55.73 -51.23 68.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 34' ' ' SER . 12.8 mt -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.33 -11.1 49.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -52.96 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.79 -5.81 59.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.0 t 51.66 43.96 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -104.29 169.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -88.14 139.43 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.602 ' HB3' HD23 ' A' ' 52' ' ' LEU . 36.4 mt-30 -40.62 -34.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.23 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 ' HB3' ' A' ' 94' ' ' GLU . 19.7 t -40.86 -49.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' HA ' HG22 ' A' ' 43' ' ' VAL . 29.9 t80 -65.28 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -36.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 40' ' ' PHE . 14.2 m -99.85 7.51 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.55 -57.0 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -145.22 21.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.94 65.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.2 mmt180 -134.88 -173.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.1 p -104.07 -156.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.107 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.15 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.46 -34.61 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -75.12 -64.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 51' ' ' LEU . 24.7 tp -43.34 -48.41 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.72 -49.44 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -27.87 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 51' ' ' LEU . 83.3 mt -76.54 -19.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.2 mt -101.72 -16.3 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -60.54 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -78.81 -25.19 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.9 mt-10 49.65 48.66 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -46.56 104.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.614 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.02 139.28 3.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -88.26 -34.84 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -113.14 -21.44 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.67 141.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.62 151.55 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.7 mt-30 -43.9 -44.19 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 p -50.33 -47.18 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD22 HD11 ' A' ' 73' ' ' LEU . 1.9 tt -75.2 -54.39 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.9 -42.78 6.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.1 t -51.41 -42.64 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.1 m-20 -73.59 -46.84 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.765 HD23 ' HE1' ' A' ' 76' ' ' MET . 60.1 mt -53.02 -51.41 61.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -53.68 -48.52 69.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.737 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.56 -51.14 70.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.765 ' HE1' HD23 ' A' ' 73' ' ' LEU . 30.5 mtm -52.09 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.598 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -51.97 -31.78 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.81 -38.51 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.825 ' HE1' HG21 ' A' ' 90' ' ' ILE . 80.6 t80 -75.03 -32.88 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -76.07 -17.84 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -79.67 -18.44 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 ' OE2' ' A' ' 86' ' ' GLU . 14.5 mt -62.38 162.52 18.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 137.63 21.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.86 -46.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -50.45 -42.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.8 mt-10 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 6.8 mtm105 -53.44 -46.69 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.43 -55.21 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -48.75 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.825 HG21 ' HE1' ' A' ' 79' ' ' PHE . 70.3 mt -45.83 -53.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.646 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 20.2 m-85 -56.08 -49.07 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ASP . 2.9 tp-100 -56.89 -61.78 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' GLN . 2.1 t0 -39.67 -52.38 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.458 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 41.7 t . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 153.76 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.69 16.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.31 13.29 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 tp -47.32 -35.25 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.9 m-85 -66.12 -61.27 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -56.2 -29.88 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -64.3 -51.22 64.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 22' ' ' ILE . 87.0 t -54.06 -61.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.54 -58.67 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.33 -30.74 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.51 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.9 tp10 -69.12 -47.28 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD13 ' HG3' ' A' ' 37' ' ' GLN . 25.7 mt -60.98 -41.73 97.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.94 -10.59 59.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -51.26 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -90.73 -5.69 55.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.8 t 53.08 40.8 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.644 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -103.76 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.81 139.77 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.603 ' HG3' HD13 ' A' ' 30' ' ' LEU . 37.6 mt-30 -39.58 -35.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -64.66 -63.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.776 HG13 ' HB3' ' A' ' 94' ' ' GLU . 17.9 t -44.12 -47.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' HA ' HG22 ' A' ' 43' ' ' VAL . 28.6 t80 -67.35 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -47.95 -26.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.47 -35.26 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.621 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 14.9 m -101.23 7.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.35 -57.17 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.608 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -142.49 18.56 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t30 60.16 64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -136.64 -175.41 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -100.96 -165.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 3.2 tm0? -94.49 -54.79 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.68 -26.18 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.89 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.679 HD22 ' HB2' ' A' ' 41' ' ' ALA . 28.8 tp -43.9 -34.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -62.74 -54.21 42.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.92 -32.11 65.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.444 HD11 HD21 ' A' ' 51' ' ' LEU . 64.4 mt -69.78 -39.13 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.48 -15.9 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -92.17 -42.48 9.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -87.21 -41.19 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 16.3 mt-10 59.57 45.26 13.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -47.67 105.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m-20 -43.49 139.05 2.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 -35.32 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 p -113.66 -19.02 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.355 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.36 144.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -79.21 150.02 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -41.07 -47.09 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -48.43 -45.63 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.768 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -77.49 -53.94 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.73 -43.17 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.55 -42.93 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' LEU . 84.9 m-20 -76.71 -47.71 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 69' ' ' LEU . 61.0 mt -50.57 -46.92 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.433 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 77.8 mtt180 -63.41 -44.79 93.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.45 -52.55 64.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.565 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -48.49 -61.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -50.74 -35.84 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.469 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 1.5 t-20 -67.8 -24.0 65.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.801 ' HE1' HG21 ' A' ' 90' ' ' ILE . 75.0 t80 -93.14 -27.96 16.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 26' ' ' VAL . 83.6 mt -81.05 -20.2 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.511 ' C ' ' OD1' ' A' ' 81' ' ' ASN . 42.7 p30 -91.95 10.07 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.2 mt -83.75 164.96 42.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.99 135.84 19.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -43.04 -44.33 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.11 -40.44 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -68.81 -59.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -51.53 -47.24 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.86 -60.69 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -49.23 76.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.801 HG21 ' HE1' ' A' ' 79' ' ' PHE . 61.9 mt -45.57 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -50.87 -48.69 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -55.54 -50.96 68.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.33 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.776 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.643 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -100.5 152.34 37.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -101.76 2.97 39.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 19' ' ' SER . 1.3 tp -41.56 -37.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.4 m-85 -65.0 -61.55 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -58.15 -29.05 65.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -64.59 -57.5 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' ILE . 65.6 t -46.3 -57.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -47.46 -53.57 13.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.55 -35.05 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' HD22 ' A' ' 80' ' ' LEU . 4.5 tp10 -65.97 -47.97 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 40' ' ' PHE . 11.8 mt -60.35 -43.67 96.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -10.67 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -51.69 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.18 -6.07 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 7.0 t 54.15 42.5 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.647 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.9 m -107.45 174.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.632 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -100.04 140.58 34.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.51 ' HG3' HD13 ' A' ' 30' ' ' LEU . 14.4 mt-30 -37.12 -42.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -56.98 -68.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 94' ' ' GLU . 42.7 t -44.78 -58.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CG ' HD21 ' A' ' 30' ' ' LEU . 4.2 t80 -51.3 -44.63 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -66.84 -33.61 75.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.2 tpt85 -64.64 -27.34 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' CE1' ' A' ' 79' ' ' PHE . 8.0 m -102.65 -32.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -61.36 -57.56 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.1 p90 -149.15 36.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 42.36 66.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -133.74 -176.44 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -101.05 -158.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.592 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 2.6 tt0 -101.65 -57.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.04 -29.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -83.18 -67.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.672 ' N ' HD13 ' A' ' 51' ' ' LEU . 31.3 tp -42.44 -37.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -51.34 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 3.1 pt-20 -61.58 -32.56 72.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 mt -69.67 -20.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 mt -98.73 -17.88 18.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -48.87 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -85.22 -20.17 30.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.612 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 41.9 mt-10 42.27 48.63 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.57 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -47.64 104.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 6.2 t0 -44.53 137.05 4.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.435 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -89.8 -35.61 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -113.54 -19.38 11.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.85 136.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.94 154.29 37.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.9 mt-30 -50.19 -37.04 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -42.81 86.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -77.99 -53.22 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 62' ' ' PRO . 6.5 mt -44.62 -46.6 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.0 t -47.63 -40.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 78.8 m-20 -79.26 -50.47 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 69' ' ' LEU . 65.6 mt -48.6 -43.66 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -62.28 -46.21 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.25 -57.09 14.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.508 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.4 mtm -46.06 -63.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.74 -29.35 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.35 -28.88 53.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.704 ' CE1' HG23 ' A' ' 43' ' ' VAL . 66.4 t80 -80.15 -35.22 36.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.503 HD22 ' OE1' ' A' ' 29' ' ' GLU . 62.2 mt -72.64 -15.55 61.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.73 -27.44 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.7 164.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.47 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.97 132.35 15.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -42.31 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.515 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.8 -38.67 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.515 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.5 -58.56 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.7 mtm105 -48.51 -40.19 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -49.17 74.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.61 -42.94 73.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 94.2 mt -53.37 -59.92 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.647 ' CD1' HG11 ' A' ' 35' ' ' VAL . 24.3 m-85 -49.53 -41.41 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -66.34 -53.89 30.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -45.05 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.582 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 151.3 40.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -19.19 17.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -97.0 14.0 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.6 tp -42.66 -32.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.6 m-85 -65.67 -59.71 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -57.03 -35.99 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.41 -52.24 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 22' ' ' ILE . 73.7 t -51.43 -63.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.1 -50.08 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -43.75 97.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 40' ' ' PHE . 4.4 tm-20 -57.67 -44.13 85.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD13 ' HG3' ' A' ' 37' ' ' GLN . 19.8 mt -61.97 -49.67 75.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' CD ' ' C ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.76 -11.35 45.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -51.6 6.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -91.46 -2.83 57.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.5 t 51.03 46.2 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.657 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -106.76 176.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.657 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.07 138.75 34.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HG3' HD13 ' A' ' 30' ' ' LEU . 15.8 mt-30 -40.42 -28.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.788 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -72.45 -67.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.784 HG13 ' HB3' ' A' ' 94' ' ' GLU . 40.7 t -41.24 -57.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CD1' ' OE1' ' A' ' 29' ' ' GLU . 27.7 t80 -51.13 -38.97 55.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -70.13 -48.67 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -49.28 -26.24 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.6 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 32.7 m -103.48 -48.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 43' ' ' VAL . . . -47.25 -58.07 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.4 p90 -150.4 43.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' PHE . 5.6 t-20 35.37 66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.81 176.25 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.2 p -95.3 -169.54 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.788 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -92.45 -56.69 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.43 -29.74 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.553 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -81.77 -62.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 37' ' ' GLN . 41.1 tp -47.63 -35.57 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -51.64 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.32 -28.49 69.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -73.45 -22.43 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.96 -19.52 19.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -83.95 -48.58 9.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -83.96 -37.97 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 15.7 mt-10 60.19 49.0 7.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.581 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -47.38 104.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.737 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.2 m-20 -44.63 137.08 4.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.07 1.55 7.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -89.06 -37.44 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.437 HG22 ' HB2' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -114.37 -17.69 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -38.89 147.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.0 153.38 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.11 -45.6 22.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -37.1 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.743 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -84.63 -54.42 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 62' ' ' PRO . 8.6 mt -45.6 -42.57 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.87 -39.61 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 3.2 m-20 -79.17 -51.81 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.743 HD21 ' CD2' ' A' ' 69' ' ' LEU . 69.0 mt -46.02 -39.52 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -68.28 -44.31 75.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -59.26 -55.87 29.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.517 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 29.2 mtm -47.29 -64.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.758 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.7 tp60 -51.44 -38.4 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.5 -38.46 89.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CZ ' ' CG2' ' A' ' 43' ' ' VAL . 88.2 t80 -74.72 -23.17 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.08 -21.57 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -74.89 -17.91 60.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 82' ' ' LEU . 14.0 mt -58.03 164.11 3.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.1 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.45 -37.87 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.1 m -60.77 -39.07 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.4 mm-40 -69.74 -59.17 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.6 mtm105 -44.68 -46.71 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.35 -41.26 75.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.89 -54.54 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.533 HG22 HG11 ' A' ' 43' ' ' VAL . 97.9 mt -43.69 -50.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.64 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 19.6 m-85 -58.48 -44.64 89.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -58.15 -44.87 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -38.1 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.784 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 67.82 168.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 69.14 145.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.5 108.1 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -172.77 130.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -158.98 169.88 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.57 -128.33 1.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.91 95.79 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -169.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -146.45 137.45 12.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 10' ' ' GLU . 18.3 Cg_endo -74.96 166.51 29.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.512 ' O ' HG22 ' A' ' 12' ' ' THR . 0.9 OUTLIER -164.39 99.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.52 166.05 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -152.77 124.79 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m 39.71 79.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.95 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -86.38 169.5 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -132.9 141.12 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -90.83 155.63 45.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.28 14.93 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 16.62 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.2 tp -48.1 -38.67 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 25.7 m-85 -61.92 -60.43 3.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.89 -34.03 58.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -59.63 -56.95 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -52.73 -60.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 56' ' ' LEU . 6.9 mtp180 -44.48 -51.19 9.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.89 -45.83 92.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.3 tp10 -53.26 -48.79 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.1 mt -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -11.06 48.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -85.05 -4.79 59.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 52.13 42.96 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.669 HG23 ' N ' ' A' ' 36' ' ' SER . 1.9 m -103.66 178.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.669 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.77 137.35 41.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HB3' HD23 ' A' ' 52' ' ' LEU . 47.9 mt-30 -39.84 -30.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -67.86 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.772 HG13 ' HB3' ' A' ' 94' ' ' GLU . 42.1 t -45.82 -52.96 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.613 ' HA ' HG22 ' A' ' 43' ' ' VAL . 29.2 t80 -59.1 -65.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.7 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -42.34 -38.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -66.96 -43.45 83.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.613 HG22 ' HA ' ' A' ' 40' ' ' PHE . 8.9 m -91.71 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.67 -57.39 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -148.68 24.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.51 65.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -136.29 -175.8 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -107.04 -157.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 13.2 tt0 -97.67 -57.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.54 -28.77 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -84.9 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 41' ' ' ALA . 43.3 tp -46.41 -38.25 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -44.87 89.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 51' ' ' LEU . 75.6 mt -75.52 -20.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 27' ' ' ARG . 10.8 mt -98.33 -13.69 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -93.19 -49.39 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -84.48 -28.67 26.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 mt-10 49.33 48.83 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.8 104.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -44.06 138.09 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.34 9.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -90.96 -30.49 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' ALA . 16.6 p -113.42 -22.59 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.443 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.44 148.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.44 151.43 22.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 71' ' ' VAL . 11.7 pt20 -39.01 -44.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.13 -56.25 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 73' ' ' LEU . 2.3 tt -69.33 -50.56 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.77 -42.25 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.4 t -51.42 -41.05 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.8 -50.47 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 69' ' ' LEU . 68.6 mt -47.68 -52.51 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -55.36 -46.65 76.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.72 -56.82 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.5 mtm -46.65 -62.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -50.56 -27.06 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -74.45 -30.98 62.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 34.8 t80 -80.85 -38.46 28.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.51 -11.02 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.99 -30.42 24.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 82' ' ' LEU . 13.2 mt -47.68 163.9 0.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.57 16.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -45.1 -39.1 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.2 m -59.73 -39.17 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.7 mm-40 -70.48 -59.07 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -45.69 -43.02 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.71 -45.52 85.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -74.0 -52.51 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.414 HD11 HD13 ' A' ' 82' ' ' LEU . 93.8 mt -42.06 -49.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 18.9 m-85 -61.47 -49.57 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.79 -42.91 76.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -40.39 81.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.772 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -62.72 -57.87 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -50.95 -51.15 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.96 77.95 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.64 97.86 0.28 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.3 t 43.43 74.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.8 p -39.84 145.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.19 144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.976 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.19 134.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.5 -165.68 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.25 171.13 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -169.83 168.98 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.51 94.91 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 157.56 49.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -167.58 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 91.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.418 ' C ' HG23 ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.99 -172.12 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.418 HG23 ' C ' ' A' ' 11' ' ' PRO . 43.7 p -151.0 -177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -179.82 164.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -151.0 103.73 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m 41.89 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.28 173.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -84.39 173.6 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.8 140.54 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -92.11 152.15 42.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.98 8.39 43.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 19' ' ' SER . 1.1 tp -41.01 -38.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.9 m-85 -63.05 -60.9 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -54.93 -32.21 61.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -62.2 -54.36 42.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -53.31 -60.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -44.86 -49.61 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -45.27 89.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.95 -49.39 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.538 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.8 mt -58.55 -48.73 79.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -10.97 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -90.56 -53.19 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.9 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 t 55.11 39.19 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.646 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m -105.83 163.97 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 35' ' ' VAL . 66.0 p -84.53 161.3 20.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.519 ' HB3' HD23 ' A' ' 52' ' ' LEU . 40.3 mt-30 -59.75 -29.65 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.55 -62.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HB3' ' A' ' 94' ' ' GLU . 38.9 t -43.27 -50.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' HA ' HG22 ' A' ' 43' ' ' VAL . 35.1 t80 -63.03 -64.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.726 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -44.35 -29.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -74.58 -41.62 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.658 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.4 m -95.11 8.02 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.4 24.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 55.14 65.13 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.6 mmt180 -135.35 -179.99 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.5 p -101.13 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -101.0 -48.8 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.42 -27.76 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.67 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -86.53 -68.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 41' ' ' ALA . 43.5 tp -40.06 -35.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -63.69 -57.63 9.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.55 -23.78 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' GLU . 92.5 mt -79.27 -42.64 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.49 -13.2 60.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -90.02 -48.87 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -85.06 -42.14 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 9.5 mt-10 64.94 45.87 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -47.05 104.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.14 139.14 3.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 0.17 9.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.73 -33.28 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . 9.0 p -113.64 -21.15 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.22 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.1 156.26 19.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 71' ' ' VAL . 11.4 mt-30 -48.28 -38.49 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -37.51 71.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.694 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -86.35 -53.69 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 62' ' ' PRO . 10.2 mt -45.41 -42.02 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.6 t -52.57 -39.72 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 82.4 m-20 -80.07 -51.0 9.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 69' ' ' LEU . 57.9 mt -48.84 -48.51 41.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -58.85 -46.43 87.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.16 -56.97 14.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.581 ' HE1' HD23 ' A' ' 73' ' ' LEU . 31.2 mtm -45.63 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -50.5 -28.9 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.14 -29.65 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.658 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 66.5 t80 -81.91 -35.74 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 44.3 mt -72.02 -12.25 61.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -84.96 -28.69 25.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.4 mt -45.66 164.71 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.75 15.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -44.29 -40.24 5.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.64 -39.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.0 mm-40 -69.53 -59.51 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.608 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -46.29 -48.25 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.85 -45.26 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -53.66 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -43.71 -52.37 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.658 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 18.2 m-85 -56.04 -48.62 75.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -56.16 -57.49 11.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -43.12 -53.2 5.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.724 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -48.86 -61.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -49.52 75.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.05 111.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.87 175.54 27.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.1 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.88 15.97 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.5 m -117.54 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -115.38 -58.79 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.943 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.7 169.45 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p 175.84 167.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 115.79 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -170.13 145.91 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.757 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.06 160.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.72 135.59 8.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 113.47 0.36 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.06 38.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.24 148.14 6.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.6 -47.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 175.03 152.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.87 75.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m 39.85 77.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.69 170.28 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.52 175.35 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.02 140.66 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -93.32 152.91 41.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.7 17.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.08 10.17 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.3 tp -42.73 -38.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 29.8 m-85 -60.23 -59.26 5.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.01 -37.98 78.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -54.1 -53.08 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' GLU . 52.7 t -53.96 -66.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -39.99 -51.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.29 -41.05 98.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' VAL . 16.3 tp10 -60.62 -44.83 95.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.5 mt -63.81 -45.35 90.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.69 -11.11 59.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -50.26 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -91.86 -1.85 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER 47.59 49.08 16.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' N ' ' A' ' 36' ' ' SER . 1.6 m -103.8 178.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.668 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.38 135.76 37.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.706 ' HB3' HD23 ' A' ' 52' ' ' LEU . 49.7 mt-30 -41.94 -29.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.19 -61.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.713 HG13 ' HB3' ' A' ' 94' ' ' GLU . 53.3 t -43.16 -51.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.691 ' CG ' HD21 ' A' ' 30' ' ' LEU . 53.4 t80 -60.74 -64.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -43.25 -34.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -43.59 72.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG11 ' OE1' ' A' ' 94' ' ' GLU . 13.4 m -92.88 8.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.45 -57.42 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.606 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -149.73 26.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 55.35 65.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.1 mmt-85 -135.28 -172.62 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.3 p -107.99 -145.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 51' ' ' LEU . 13.5 tt0 -112.33 -55.63 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.39 -27.85 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -85.87 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.706 HD23 ' HB3' ' A' ' 37' ' ' GLN . 18.5 tp -41.85 -36.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -59.05 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.2 pt-20 -52.01 -31.13 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 82.1 mt -72.23 -43.6 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.6 -14.01 60.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -90.62 -48.15 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -83.63 -34.59 25.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.615 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 45.0 mt-10 57.17 46.23 19.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.576 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -46.73 104.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 3.1 m-20 -43.81 137.12 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -34.69 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' ALA . 10.7 p -113.25 -21.35 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.13 139.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -71.58 154.36 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.7 mt-30 -46.93 -38.93 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.98 68.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.717 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.57 -54.36 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.78 -45.08 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.8 t -48.96 -42.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.0 m-20 -78.16 -50.7 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.717 HD21 ' CD2' ' A' ' 69' ' ' LEU . 62.3 mt -47.23 -52.49 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -58.35 -44.25 88.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.42 -57.21 13.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.556 ' HE1' HD23 ' A' ' 73' ' ' LEU . 28.7 mtm -45.95 -64.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -49.15 -27.75 3.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -72.5 -35.12 68.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 65.9 t80 -77.81 -40.69 39.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.29 -13.1 34.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -81.76 -28.84 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 82' ' ' LEU . 14.0 mt -48.65 162.53 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.17 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.38 -40.14 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -58.59 -39.35 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.4 mm-40 -71.28 -58.55 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.45 -42.52 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -43.36 97.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -73.07 -51.58 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 83.0 mt -44.18 -55.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.654 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 22.7 m-85 -54.38 -46.91 73.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -53.85 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 -52.96 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.713 ' HB3' HG13 ' A' ' 39' ' ' VAL . 2.0 mp0 -52.5 -61.29 2.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -53.69 -51.57 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -137.08 136.1 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 -150.16 10.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 90.48 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -107.66 -59.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.85 131.21 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.059 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -172.51 -60.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.41 166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.09 -145.72 12.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m 61.81 86.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p 179.29 127.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.02 102.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.88 104.84 55.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -140.22 150.3 61.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.45 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -92.62 139.2 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.82 167.69 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.67 -166.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.97 15.15 10.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t 62.28 138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.97 -177.63 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.62 HG21 ' HG3' ' A' ' 74' ' ' ARG . 46.6 t -136.3 124.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -79.72 150.75 73.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -14.57 21.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -102.24 12.16 37.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.796 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 tp -44.25 -27.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.1 m-85 -69.98 -58.87 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.96 -32.56 66.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -63.78 -43.07 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 22' ' ' ILE . 90.4 t -63.65 -62.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HG3' HD22 ' A' ' 56' ' ' LEU . 1.1 mtt180 -45.69 -45.63 14.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -69.35 -31.01 69.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 6.8 tp10 -70.16 -46.16 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.711 HD21 ' CG ' ' A' ' 40' ' ' PHE . 23.0 mt -63.29 -45.97 88.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -11.07 45.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -89.28 -53.55 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -86.1 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t 51.42 44.59 28.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.579 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.8 m -104.06 167.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.481 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.58 138.85 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' CB ' HD23 ' A' ' 52' ' ' LEU . 36.5 mt-30 -42.96 -28.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -76.17 -56.81 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG13 ' CB ' ' A' ' 94' ' ' GLU . 22.3 t -45.67 -48.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.711 ' CG ' HD21 ' A' ' 30' ' ' LEU . 77.9 t80 -65.72 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.32 -33.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -70.97 -51.4 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 40' ' ' PHE . 6.1 m -84.92 7.64 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.72 -57.43 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.55 25.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 t30 56.55 64.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -134.66 -175.23 3.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.1 p -101.15 -166.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -97.28 -39.9 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.2 -25.57 62.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -82.45 -60.26 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.62 HD11 HG11 ' A' ' 26' ' ' VAL . 33.2 tp -46.56 -39.62 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -44.67 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.47 HD11 HD11 ' A' ' 51' ' ' LEU . 84.4 mt -77.15 -24.44 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 27' ' ' ARG . 13.1 mt -91.21 -13.98 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -92.98 -46.25 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -85.62 -42.8 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.599 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.2 mt-10 62.87 45.43 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' CB ' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -46.85 104.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.695 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -42.74 137.78 2.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.07 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -89.34 -35.57 16.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -113.9 -20.67 10.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.65 140.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -69.19 145.6 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -41.15 -41.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -45.29 69.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.71 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -75.56 -54.58 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 62' ' ' PRO . 6.9 mt -43.26 -45.57 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -48.91 -43.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.7 m-20 -76.82 -50.73 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.71 HD21 ' CD2' ' A' ' 69' ' ' LEU . 66.8 mt -47.65 -47.38 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.62 ' HG3' HG21 ' A' ' 18' ' ' VAL . 34.4 mtt180 -65.13 -43.38 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.32 -55.52 32.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.556 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.3 mtm -47.9 -61.6 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -48.93 -28.94 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.72 -34.71 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.5 t80 -76.64 -41.42 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.93 -11.1 44.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -84.59 -13.63 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' OE2' ' A' ' 86' ' ' GLU . 21.9 mt -72.7 158.19 87.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.96 142.82 28.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -42.77 -42.82 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -53.42 -41.49 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' OE2' HD22 ' A' ' 82' ' ' LEU . 14.8 mt-10 -66.85 -60.06 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.6 mtm105 -54.59 -43.78 72.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.61 -56.5 14.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -67.75 -48.88 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 68.0 mt -45.06 -54.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.602 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 20.1 m-85 -56.35 -47.44 78.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.43 -55.48 33.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -40.16 22.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.496 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.42 -68.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -51.2 65.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -54.67 97.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 129.44 -175.37 18.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.98 10.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 p -179.22 148.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 m -166.98 145.61 5.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -140.51 152.56 45.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.72 169.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.28 -140.11 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 66.48 143.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.01 158.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.91 172.27 45.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -149.92 138.68 12.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -172.18 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -123.16 150.26 59.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.38 10.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.23 125.24 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -136.94 144.59 43.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.04 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.29 77.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.78 172.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -86.59 172.64 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.57 136.23 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -88.83 154.8 50.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.68 14.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.02 11.4 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.732 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.5 tp -44.16 -34.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 19.5 m-85 -67.18 -58.15 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -60.77 -27.44 67.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.1 -48.87 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 22' ' ' ILE . 95.4 t -55.66 -58.17 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -46.84 -43.48 18.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -67.32 -38.78 85.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tp10 -62.12 -46.76 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' SER . 18.4 mt -63.37 -41.5 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.68 -10.88 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -51.06 5.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -88.59 -5.01 58.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 51.39 44.82 28.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -107.06 171.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.562 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -93.91 139.98 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.539 ' HB3' HD23 ' A' ' 52' ' ' LEU . 57.6 mt-30 -38.96 -38.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -62.43 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.542 HG13 ' CB ' ' A' ' 94' ' ' GLU . 37.2 t -40.07 -51.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' HA ' HG22 ' A' ' 43' ' ' VAL . 19.5 t80 -63.02 -59.55 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -48.58 -26.59 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.45 -35.16 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.692 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.5 m -102.27 7.67 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.21 -57.04 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.18 27.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 53.89 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.1 mmt180 -138.99 173.63 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.4 p -95.2 -163.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.1 tt0 -92.58 -58.19 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . . . -37.68 -33.84 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -79.01 -68.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' ' 51' ' ' LEU . 40.7 tp -41.93 -38.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -52.26 66.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.0 pt-20 -59.91 -32.21 70.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.441 HD11 HD11 ' A' ' 51' ' ' LEU . 98.3 mt -70.2 -23.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.42 -19.02 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -87.14 -45.93 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.3 -37.2 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 49.0 mt-10 57.66 45.33 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.82 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.85 138.85 3.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.424 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.99 -1.95 11.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.84 -31.1 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -113.42 -24.12 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.42 154.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.41 155.37 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.4 mt-30 -47.82 -40.51 21.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -44.65 74.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.639 HD22 HD11 ' A' ' 73' ' ' LEU . 1.5 tt -76.22 -56.61 4.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.8 mt -43.96 -40.95 5.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.7 t -52.42 -43.47 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' LEU . 75.9 m-20 -74.28 -49.27 23.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.649 HD23 ' HE1' ' A' ' 76' ' ' MET . 67.4 mt -47.55 -54.36 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -50.02 -49.72 49.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.12 -55.13 36.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.649 ' HE1' HD23 ' A' ' 73' ' ' LEU . 29.7 mtm -47.5 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.582 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -51.44 -33.66 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.41 -34.55 70.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.7 t80 -76.47 -34.54 58.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 37.5 mt -70.19 -12.49 61.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.83 -26.55 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.47 163.45 0.37 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.96 133.61 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -45.16 -39.35 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.446 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.1 m -59.61 -38.83 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.5 mm-40 -70.65 -59.03 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.97 -43.92 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -43.73 85.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -52.56 11.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.432 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mt -42.4 -51.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.616 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 18.9 m-85 -59.76 -47.06 87.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -56.54 -46.0 80.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -36.93 79.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.542 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.55 -66.48 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.79 -51.84 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.89 146.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.59 -175.47 18.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -53.19 131.75 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.22 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.57 100.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.83 149.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.48 -134.59 7.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.32 107.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.06 148.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 80.31 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -97.45 113.38 63.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 177.24 8.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -162.23 128.74 2.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 148.4 35.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 12' ' ' THR . 6.3 t -170.64 69.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -113.75 168.46 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t -175.95 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.5 p -145.88 83.86 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.73 179.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.76 176.34 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.27 137.83 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.526 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -89.98 154.02 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.39 18.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.95 10.22 41.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.0 tp -44.64 -33.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 24.6 m-85 -65.7 -55.25 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.14 -34.6 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.89 -44.14 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 22' ' ' ILE . 74.0 t -60.09 -62.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -53.06 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -39.82 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 7.7 tp10 -60.75 -45.29 94.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 37' ' ' GLN . 22.1 mt -61.01 -47.49 86.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -10.59 45.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.92 -53.11 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.653 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.1 -5.4 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.1 t 54.32 41.41 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -106.9 164.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -87.8 139.73 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.664 ' HB3' HD23 ' A' ' 52' ' ' LEU . 29.9 mt-30 -38.79 -34.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.38 -66.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.799 HG13 ' HB3' ' A' ' 94' ' ' GLU . 4.8 t -40.8 -47.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.622 ' HA ' HG22 ' A' ' 43' ' ' VAL . 18.3 t80 -64.18 -60.18 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -45.29 -28.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -75.57 -39.66 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.625 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.4 m -96.72 6.89 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.71 -57.17 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.644 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -151.15 29.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 53.12 64.96 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 6.4 mmt180 -136.29 -175.22 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 68.2 p -104.29 -154.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -101.98 -59.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.01 -29.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -81.15 -66.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.675 ' N ' HD13 ' A' ' 51' ' ' LEU . 26.1 tp -43.98 -42.66 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.6 72.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' LEU . 1.4 pt-20 -67.85 -29.51 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 51' ' ' LEU . 76.8 mt -73.86 -18.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.0 -17.0 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -89.52 -50.11 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -83.88 -32.0 25.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.0 mt-10 53.27 47.36 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.507 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.77 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 m-20 -44.08 136.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.505 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.1 Cg_endo -74.98 -0.4 9.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -32.17 15.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -114.88 -15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -43.29 162.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.3 mt-30 -46.19 -42.53 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -38.86 68.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.53 -53.47 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.21 -43.4 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.9 t -52.55 -40.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.3 m-20 -77.78 -49.74 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.688 HD21 ' CD2' ' A' ' 69' ' ' LEU . 72.3 mt -46.34 -53.77 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -56.86 -45.96 82.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.56 -48.68 80.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.575 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.6 mtm -55.42 -65.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.585 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.52 -29.88 11.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -70.34 -37.36 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.625 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 49.4 t80 -76.79 -37.33 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 40' ' ' PHE . 51.0 mt -71.26 -13.47 61.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -83.83 -24.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 82' ' ' LEU . 16.7 mt -56.98 161.57 4.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.94 140.12 25.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -53.53 -41.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 15.5 mt-10 -67.16 -60.67 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -54.13 -45.12 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.23 -55.11 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -67.68 -46.78 71.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 67.6 mt -47.71 -57.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.653 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 21.7 m-85 -52.54 -47.07 66.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.74 -42.16 92.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.55 98.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.799 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -59.15 -57.99 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 33' ' ' ALA . 15.0 mtt180 -46.06 -50.94 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.68 93.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.79 -160.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 153.39 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.06 161.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.18 150.52 38.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.89 140.38 24.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -152.96 163.71 39.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.55 127.93 3.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -173.9 124.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.31 157.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.12 -162.63 30.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 152.11 96.43 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 101.46 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' CD ' HG21 ' A' ' 12' ' ' THR . 8.0 pt-20 -174.11 153.42 2.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 76.39 3.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.408 HG21 ' CD ' ' A' ' 10' ' ' GLU . 37.1 p -144.69 -148.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.71 -64.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.69 63.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.7 m 42.49 70.7 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 167.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 4.8 tt0 -94.04 143.49 26.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 40.8 t -108.48 134.29 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -83.88 149.96 57.76 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.56 21.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.91 10.87 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.866 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 tp -42.93 -31.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 17.3 m-85 -67.28 -60.42 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.15 -35.93 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -59.33 -45.16 92.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 22' ' ' ILE . 57.7 t -57.87 -64.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -47.06 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -38.49 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' NH1' ' A' ' 87' ' ' ARG . 14.3 tp10 -66.52 -46.58 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 40' ' ' PHE . 22.5 mt -62.37 -45.29 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -10.55 52.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -89.97 -53.2 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.551 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.45 -2.98 58.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.6 t 47.86 47.37 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.672 HG23 ' N ' ' A' ' 36' ' ' SER . 1.5 m -103.72 179.03 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.672 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -97.26 135.96 38.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.809 ' HB3' HD23 ' A' ' 52' ' ' LEU . 53.2 mt-30 -40.64 -33.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.43 -64.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.895 HG13 ' HB3' ' A' ' 94' ' ' GLU . 66.4 t -41.47 -53.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.618 ' CG ' HD21 ' A' ' 30' ' ' LEU . 17.6 t80 -59.5 -56.53 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -52.21 -28.81 19.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -75.78 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.586 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 6.2 m -101.98 7.65 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.79 -57.16 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -147.86 25.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.38 64.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.4 mmt180 -140.03 176.56 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.1 p -99.04 -176.0 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.78 -45.64 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.64 -31.96 10.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.41 -62.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 37' ' ' GLN . 17.0 tp -46.52 -31.73 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -64.71 -50.86 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.11 -26.01 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 51' ' ' LEU . 71.0 mt -78.25 -42.12 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 13.3 mt -74.95 -12.85 60.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -90.83 -49.0 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -84.92 -42.6 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.7 mt-10 64.8 45.61 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.55 105.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -42.71 138.99 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.69 8.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -89.95 -31.13 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ALA . 69.8 p -114.13 -23.97 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.93 140.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.53 155.05 40.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -46.05 -48.5 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -52.43 16.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.617 HD22 HD11 ' A' ' 73' ' ' LEU . 1.7 tt -69.84 -51.08 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -45.25 -45.12 11.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.68 -38.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.7 m-20 -77.0 -51.71 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 69' ' ' LEU . 57.5 mt -51.17 -46.28 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 44.6 mtt180 -63.97 -41.53 97.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.71 -57.83 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.567 ' HE3' ' HA ' ' A' ' 73' ' ' LEU . 29.8 mtm -44.63 -57.99 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.453 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -54.17 -28.95 43.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.04 -36.27 61.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 36.4 t80 -76.23 -37.67 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.475 HD21 ' HE2' ' A' ' 40' ' ' PHE . 42.6 mt -70.32 -11.81 61.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -83.87 -17.6 40.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.433 HD22 ' CD ' ' A' ' 86' ' ' GLU . 20.2 mt -64.31 161.18 43.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.99 141.26 26.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -43.05 -41.51 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.4 m -54.91 -40.84 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 83' ' ' PRO . 18.8 mt-10 -67.68 -60.4 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.599 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 4.9 mtm105 -55.29 -42.48 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -57.4 -50.38 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.95 63.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.495 HG21 ' HB ' ' A' ' 43' ' ' VAL . 62.1 mt -48.29 -57.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.4 m-85 -51.45 -47.11 63.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -53.38 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.49 -55.74 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.895 ' HB3' HG13 ' A' ' 39' ' ' VAL . 2.4 mp0 -50.58 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.27 -49.82 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 62.36 75.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -160.04 167.65 35.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -158.18 126.15 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 p -75.48 145.33 41.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -176.99 146.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.751 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.88 160.08 41.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 172.63 45.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.9 154.5 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.017 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -70.39 162.08 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.33 150.07 6.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 168.38 25.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 156.77 42.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.34 167.73 9.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 60.86 5.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.788 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -145.13 168.45 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.91 -52.55 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.55 -57.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.4 117.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -150.21 140.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.15 173.14 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -137.54 135.2 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -89.03 153.09 49.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.53 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.07 9.72 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.795 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 tp -44.07 -32.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.7 m-85 -68.6 -61.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -23.19 64.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -71.63 -39.06 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 22' ' ' ILE . 83.2 t -65.98 -62.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -46.14 3.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.25 -40.4 90.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 24.5 tp10 -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.617 HD21 ' CG ' ' A' ' 40' ' ' PHE . 20.4 mt -62.48 -45.89 90.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -68.57 -10.12 53.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -50.89 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -92.49 -1.52 56.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 46.93 50.41 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 36' ' ' SER . 1.4 m -104.12 176.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.602 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -93.24 139.1 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.941 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.2 -25.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.85 -53.4 6.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.471 HG13 ' CB ' ' A' ' 94' ' ' GLU . 24.2 t -48.45 -47.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.617 ' CG ' HD21 ' A' ' 30' ' ' LEU . 66.5 t80 -64.18 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -46.83 -25.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -79.2 -37.82 37.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.66 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 14.0 m -100.74 7.78 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.2 -56.99 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.65 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.96 25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.2 t30 55.38 65.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.2 mmt-85 -137.24 177.36 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.7 p -97.93 -155.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -102.31 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -84.16 -64.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.583 ' N ' HD13 ' A' ' 51' ' ' LEU . 14.4 tp -43.44 -41.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.53 -32.74 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLU . 97.2 mt -69.37 -47.87 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.98 -15.11 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -59.38 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -77.52 -39.1 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.627 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.0 mt-10 64.23 46.19 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 104.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.42 140.74 2.94 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.51 -34.87 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -113.02 -23.08 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.17 138.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.34 153.15 41.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -44.92 -46.44 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -51.0 34.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 73' ' ' LEU . 2.4 tt -70.6 -55.24 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -43.63 -45.81 7.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -48.28 -41.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.6 m-20 -74.84 -48.26 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 69' ' ' LEU . 58.1 mt -52.29 -52.38 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -54.49 -47.83 72.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.27 -49.63 75.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.5 mtm -53.09 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.678 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -48.76 -32.53 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -70.47 -34.34 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.66 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 79.1 t80 -78.0 -35.68 49.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.65 -15.59 63.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -77.06 -29.23 55.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD13 HD11 ' A' ' 90' ' ' ILE . 12.1 mt -48.47 163.36 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.09 16.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -40.93 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.88 -40.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 9.2 mm-40 -70.21 -58.9 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.66 -41.47 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -72.76 -51.19 20.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.487 HG21 ' HE1' ' A' ' 79' ' ' PHE . 98.8 mt -41.73 -50.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -61.5 -49.6 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.45 -50.03 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -32.68 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.471 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -62.79 -64.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -52.01 60.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.98 83.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.45 -178.19 47.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 118.29 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.77 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -171.63 140.21 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.02 86.5 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.44 138.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 t -171.12 168.2 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.89 -163.56 25.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.91 106.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 179.9 140.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.43 126.43 2.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.25 93.99 2.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.73 38.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.5 162.79 18.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.78 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 t -135.8 54.23 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 62.53 160.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.27 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m 39.55 82.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.56 172.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.92 173.44 9.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -138.95 146.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.57 151.88 37.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.11 17.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 10.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 tp -41.78 -35.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.7 m-85 -62.95 -61.28 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.58 -36.29 69.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -57.34 -54.77 43.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 22' ' ' ILE . 68.8 t -49.42 -61.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -42.03 -51.95 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.87 -42.2 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' CD ' ' CD2' ' A' ' 40' ' ' PHE . 3.6 tm-20 -57.29 -48.76 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' SER . 16.8 mt -60.35 -44.55 95.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -10.32 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -52.73 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.68 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.14 -5.96 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.0 t 53.08 42.53 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.609 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -105.58 163.04 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -84.77 139.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.708 ' HB3' HD23 ' A' ' 52' ' ' LEU . 47.0 mt-30 -38.47 -36.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.03 -61.1 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -41.9 -48.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 44' ' ' ALA . 53.0 t80 -67.02 -63.41 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . . . -39.31 -30.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -74.77 -56.2 5.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.682 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.8 m -80.58 4.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.587 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -99.74 -57.72 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.41 24.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 54.67 65.26 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 8.4 mmt180 -136.78 -177.81 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.2 p -101.13 -151.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -104.68 -54.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.81 -41.83 2.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -69.82 -66.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.727 ' N ' HD13 ' A' ' 51' ' ' LEU . 34.7 tp -43.25 -48.89 6.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -49.62 -49.45 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.22 -27.97 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.441 HD11 HD11 ' A' ' 51' ' ' LEU . 94.5 mt -76.17 -21.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -97.48 -14.31 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -92.93 -45.55 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -87.25 -37.21 17.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 30.1 mt-10 58.36 46.24 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.79 105.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.44 136.32 3.21 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -74.96 0.68 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -87.75 -35.01 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.9 p -117.81 -9.44 10.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -44.51 156.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.5 150.37 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -42.45 -48.45 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -43.5 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.665 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.6 tt -77.74 -54.95 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 73' ' ' LEU . 6.9 mt -43.2 -47.23 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -50.3 -42.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.5 m-20 -73.51 -48.99 28.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 62' ' ' PRO . 72.3 mt -46.23 -51.32 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -59.3 -51.75 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.1 mtm -53.03 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.421 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.5 tp60 -54.28 -32.79 57.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.44 -37.46 83.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.682 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 69.1 t80 -75.85 -34.7 60.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.68 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.53 -28.76 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.39 164.5 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -75.0 133.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.35 -40.38 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.56 -40.06 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 7.5 mm-40 -69.57 -59.27 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.618 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.48 -48.54 13.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -46.3 66.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -73.02 -52.54 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.545 HG21 ' HE1' ' A' ' 79' ' ' PHE . 96.7 mt -43.34 -52.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.68 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 22.7 m-85 -58.7 -45.49 89.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.74 -43.12 99.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -46.42 84.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -67.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.2 -50.57 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.13 82.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.07 152.58 18.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.74 174.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -135.33 84.21 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -152.2 147.48 26.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -162.84 158.55 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.86 167.79 0.29 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.88 168.08 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.55 135.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.73 58.11 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.02 119.11 29.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -162.22 146.05 9.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -166.05 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 13' ' ' ASN . 1.1 m -121.06 -61.18 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.415 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' CG ' HG22 ' A' ' 12' ' ' THR . 19.6 p30 175.71 170.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 m -169.26 177.04 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.7 m -42.06 116.77 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -94.32 140.66 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.02 -178.54 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -138.88 137.43 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.43 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -90.63 152.18 44.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.96 20.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.15 10.4 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.685 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.9 tp -43.13 -34.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -66.89 -57.07 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -24.22 67.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.87 -42.25 70.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 22' ' ' ILE . 62.2 t -61.07 -55.76 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -46.75 -49.34 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.16 -45.53 94.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' CD ' ' NH1' ' A' ' 87' ' ' ARG . 10.1 tp10 -53.81 -47.56 70.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' SER . 8.0 mt -63.94 -42.23 97.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -69.85 -10.64 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -51.58 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -89.38 -3.11 58.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.6 t 49.53 45.77 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' N ' ' A' ' 36' ' ' SER . 1.7 m -103.82 178.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.662 ' N ' HG23 ' A' ' 35' ' ' VAL . 91.3 p -98.35 156.43 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.589 ' HB3' HD23 ' A' ' 52' ' ' LEU . 21.8 mt-30 -53.94 -35.99 62.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.84 -60.1 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' A' ' 94' ' ' GLU . 40.1 t -43.25 -52.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 44' ' ' ALA . 37.3 t80 -63.75 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.685 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -41.37 -31.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -73.54 -49.57 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.692 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 12.3 m -86.91 8.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.36 -57.39 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.673 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -146.5 20.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 38.5 t-20 58.41 65.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.1 mmt-85 -136.8 -173.13 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 9.5 p -102.96 -143.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HG3' ' CB ' ' A' ' 37' ' ' GLN . 55.1 tt0 -113.71 -52.2 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.87 -32.93 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' O ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -79.87 -58.87 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.685 HD22 ' HB2' ' A' ' 41' ' ' ALA . 22.4 tp -49.11 -47.06 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ARG . 3.1 t -49.85 -53.16 27.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -58.7 -30.16 67.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 75.2 mt -74.03 -19.86 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.52 -15.44 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -87.7 -55.11 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.54 -26.69 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.4 mt-10 53.52 50.97 16.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -48.11 104.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -44.77 138.01 4.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -90.37 -33.37 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.1 p -113.25 -21.18 11.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.6 142.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.34 157.2 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -47.59 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.3 -48.54 46.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD22 HD11 ' A' ' 73' ' ' LEU . 1.5 tt -74.21 -51.81 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -45.46 -47.95 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.85 -39.2 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.8 m-20 -77.72 -50.5 12.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.663 HD23 ' HE1' ' A' ' 76' ' ' MET . 71.6 mt -49.0 -45.99 43.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.92 -44.52 92.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.94 -51.16 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.663 ' HE1' HD23 ' A' ' 73' ' ' LEU . 30.0 mtm -52.44 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.685 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -48.73 -31.6 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.85 -35.22 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 40.8 t80 -76.95 -34.04 57.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 58.7 mt -70.79 -17.83 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -74.13 -28.1 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 12.8 mt -51.49 163.19 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -44.47 -42.52 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.519 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.6 -38.94 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.17 -58.74 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -48.76 -41.31 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.35 -47.99 71.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -45.55 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.42 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 92.0 mt -50.44 -53.95 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -56.06 -42.77 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -60.72 -56.94 15.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -36.74 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.476 ' CG ' HG13 ' A' ' 39' ' ' VAL . 1.9 tm-20 -50.13 -63.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -49.28 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.4 128.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.4 -150.23 21.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.4 p -72.24 139.59 48.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -108.08 114.15 27.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 177.38 142.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.74 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -166.31 164.26 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.48 164.19 18.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p 175.95 165.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.973 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -177.01 171.84 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 151.74 16.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.485 1.115 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -101.77 150.16 37.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -161.22 111.97 1.25 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.59 2.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 t -168.13 159.55 11.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 167.5 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.11 -54.28 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.6 p -116.07 83.07 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.41 175.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -88.3 172.8 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -135.22 141.84 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -85.32 151.2 56.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.55 21.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.32 14.41 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 77' ' ' GLN . 2.1 tp -45.91 -33.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 18.1 m-85 -66.09 -53.83 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.14 -36.16 79.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -57.91 -56.47 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' ILE . 71.9 t -48.96 -60.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -41.96 -61.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.8 t70 -52.27 -44.89 65.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.5 tp10 -54.17 -47.18 72.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 40' ' ' PHE . 8.8 mt -65.26 -39.24 92.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.8 -20.21 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -85.5 -48.22 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.99 -5.2 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t 50.03 45.28 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -105.85 173.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.597 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.24 138.12 34.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.776 ' HB3' HD23 ' A' ' 52' ' ' LEU . 34.0 mt-30 -38.82 -36.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -67.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.2 t -40.23 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 21.3 t80 -60.74 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.177 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -42.06 -37.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -67.2 -50.69 59.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 13.1 m -85.17 8.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.56 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.49 25.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 46.0 t-20 55.73 65.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -140.15 174.31 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -94.21 -170.14 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -90.47 -49.34 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.16 -27.36 1.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -85.75 -67.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 37' ' ' GLN . 23.3 tp -40.29 -36.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -59.64 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.8 pt-20 -53.68 -34.59 59.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.419 HD11 HD21 ' A' ' 51' ' ' LEU . 51.3 mt -67.71 -34.56 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' CD1' ' NE2' ' A' ' 37' ' ' GLN . 13.5 mt -83.77 -15.37 48.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -93.72 -43.35 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.509 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.6 mttm -84.78 -36.28 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.623 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 54.9 mt-10 53.31 67.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.531 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.17 105.46 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.721 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.7 136.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.06 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -34.25 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -115.4 -14.3 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -42.62 160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -89.31 148.52 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -41.78 -47.27 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -43.83 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -75.03 -52.31 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.5 mt -45.48 -43.56 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.04 -40.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.6 m-20 -77.85 -50.14 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.679 HD21 ' CD2' ' A' ' 69' ' ' LEU . 55.7 mt -51.51 -38.94 56.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -68.92 -43.38 75.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.85 -56.87 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.502 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.4 mtm -44.66 -61.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.57 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -50.81 -32.48 20.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.04 -39.7 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.71 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 53.2 t80 -73.36 -33.15 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.634 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 56.1 mt -72.9 -12.11 60.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -87.71 -23.38 24.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 16.0 mt -51.21 165.0 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.86 15.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.51 -39.27 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.2 m -59.62 -39.08 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.5 mm-40 -68.97 -60.02 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -46.45 -46.73 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -43.02 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -73.55 -54.39 8.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.5 HG22 HG11 ' A' ' 43' ' ' VAL . 94.3 mt -43.32 -53.18 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 17.5 m-85 -55.57 -46.18 77.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -55.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.414 ' HG2' HG13 ' A' ' 43' ' ' VAL . 2.1 mp0 -44.26 -63.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -49.72 -44.87 48.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.15 74.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.053 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.87 -157.28 7.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.87 170.29 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -102.9 167.4 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.09 121.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.07 143.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.27 134.25 2.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -173.64 170.39 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.55 152.65 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.81 156.59 11.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.65 116.55 0.39 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -179.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.53 141.93 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -82.12 144.85 30.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.578 ' HB3' HG13 ' A' ' 16' ' ' VAL . 19.7 m-20 -155.5 -54.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -66.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.05 90.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' A' ' 13' ' ' ASN . 27.6 m -72.23 175.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -82.35 169.38 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -134.06 137.98 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -83.52 151.18 61.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.01 19.89 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.19 12.7 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.833 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.2 tp -44.64 -30.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 10.8 m-85 -70.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -27.58 62.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.07 -43.97 77.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 22' ' ' ILE . 86.6 t -63.25 -61.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -43.13 -50.35 6.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -34.92 78.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 9.8 tp10 -66.48 -46.3 76.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD21 ' CG ' ' A' ' 40' ' ' PHE . 27.9 mt -61.04 -47.02 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -65.81 -11.2 44.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -53.28 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.531 ' HB3' HG13 ' A' ' 35' ' ' VAL . . . -85.36 -6.17 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 51.07 45.41 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 36' ' ' SER . 1.4 m -103.52 176.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.621 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -95.2 138.74 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' CB ' HD23 ' A' ' 52' ' ' LEU . 10.2 mt-30 -39.99 -39.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.52 -60.3 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 94' ' ' GLU . 39.8 t -40.62 -52.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CG ' HD21 ' A' ' 30' ' ' LEU . 52.3 t80 -63.14 -63.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -41.25 -37.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -51.12 49.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 40' ' ' PHE . 6.3 m -82.93 6.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.36 -57.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.32 25.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 54.52 65.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.616 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.6 mmt-85 -136.9 175.12 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -94.21 -174.13 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.81 -51.16 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.29 -28.77 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.642 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -80.93 -67.89 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 51' ' ' LEU . 21.0 tp -40.7 -37.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.62 30.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.9 -32.1 52.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' GLU . 78.9 mt -72.62 -42.25 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.07 -12.51 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 -48.61 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -85.46 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.615 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.5 mt-10 63.57 47.49 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.97 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.643 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.6 m-20 -42.83 136.43 2.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 1.45 7.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.57 -37.19 18.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -114.1 -18.09 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -37.93 141.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.1 m -76.83 146.42 37.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 71' ' ' VAL . 12.9 pt20 -38.1 -44.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.7 p -49.11 -51.09 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.677 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.7 mt -45.24 -40.39 7.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 67' ' ' GLN . 4.3 t -54.25 -40.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.5 m-20 -78.26 -51.28 10.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 69' ' ' LEU . 57.8 mt -47.88 -52.62 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.504 ' NH1' HD22 ' A' ' 70' ' ' LEU . 31.9 mtt85 -56.44 -46.46 80.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -55.48 -55.83 27.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.574 ' HE1' HD23 ' A' ' 73' ' ' LEU . 29.3 mtm -48.19 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -27.3 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.61 -35.02 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 33.0 t80 -76.21 -46.75 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 56.7 mt -62.32 -13.74 31.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -80.86 -22.95 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.46 HD22 ' OE2' ' A' ' 86' ' ' GLU . 24.8 mt -62.98 159.81 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.98 142.32 27.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -42.88 -41.9 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.44 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -54.4 -41.11 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 16.3 mt-10 -67.24 -60.33 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.5 mtm105 -55.51 -44.92 77.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.44 -55.04 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.31 59.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 61.8 mt -44.96 -53.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.8 m-85 -57.64 -47.32 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -59.99 -46.0 90.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -40.01 74.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.476 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -51.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -52.86 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.12 79.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.36 151.53 9.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 115.25 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -165.52 112.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.44 117.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.84 114.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -177.98 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.34 101.45 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -178.88 109.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.3 157.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.87 130.19 3.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.49 113.21 1.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.81 95.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.06 5.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 12' ' ' THR . 3.5 t -174.84 70.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.455 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.75 166.58 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.17 74.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t 52.85 99.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.1 173.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.88 170.31 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.6 t -135.91 136.52 49.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -86.83 150.83 51.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.7 21.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.88 13.23 27.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 tp -45.78 -34.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.3 m-85 -62.98 -59.28 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -54.8 -40.87 69.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -52.29 -54.21 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 22' ' ' ILE . 66.6 t -48.63 -65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.51 -52.55 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 8.0 tp10 -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 34' ' ' SER . 19.0 mt -60.43 -46.08 91.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -10.59 50.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -52.44 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.626 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.51 -5.67 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 53.41 43.36 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.46 171.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -94.38 140.62 29.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' CB ' HD23 ' A' ' 52' ' ' LEU . 30.4 mt-30 -38.85 -34.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -66.22 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' HB3' ' A' ' 94' ' ' GLU . 3.9 t -40.16 -48.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.59 ' HA ' HG22 ' A' ' 43' ' ' VAL . 25.2 t80 -66.37 -62.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -77.95 -41.11 37.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.656 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.1 m -96.09 7.94 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.58 -57.07 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -146.61 21.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 59.83 64.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 20.2 mmt-85 -142.8 172.37 12.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.7 p -95.89 -178.58 4.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.3 -53.6 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.92 -30.91 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.1 tm? -83.25 -62.05 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.542 ' N ' HD13 ' A' ' 51' ' ' LEU . 23.0 tp -46.2 -32.66 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -59.57 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.59 -25.99 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.474 HD11 HD11 ' A' ' 51' ' ' LEU . 91.3 mt -77.24 -41.41 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.86 -14.32 60.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -93.62 -45.48 7.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.4 mttm -84.1 -38.45 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.609 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.4 mt-10 54.31 67.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -68.94 105.44 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.682 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.64 139.19 2.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.83 -34.34 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.8 p -113.67 -19.56 11.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -43.1 140.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.56 154.1 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.53 -50.37 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 p -46.86 -51.17 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 73' ' ' LEU . 1.2 tt -69.92 -52.93 20.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.23 -45.19 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.29 -41.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.8 m-20 -74.71 -47.66 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 69' ' ' LEU . 48.7 mt -55.85 -36.46 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -68.79 -44.96 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -61.97 -55.9 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 31.3 mtm -45.27 -59.5 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.584 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -55.36 -33.19 63.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.85 -32.67 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.656 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 58.1 t80 -75.78 -38.48 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -77.56 -31.84 53.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.5 mt -46.97 163.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.96 132.57 15.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.08 7.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.513 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.26 -38.79 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.513 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.55 -58.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.588 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -50.18 -40.35 46.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.05 -49.42 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -70.28 -47.38 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 87' ' ' ARG . 55.8 mt -47.55 -57.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD1' HG11 ' A' ' 35' ' ' VAL . 23.1 m-85 -52.27 -51.29 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -56.33 -52.77 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -46.82 -51.7 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.455 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -49.97 -55.21 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.272 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -58.56 -52.69 64.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -46.4 -57.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.91 -109.31 1.4 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.23 6.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.95 153.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.8 m -82.87 133.72 35.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.8 84.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.976 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -57.19 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.37 89.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -172.05 113.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.73 128.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.13 141.25 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.25 93.74 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.83 23.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.03 155.39 9.09 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.42 7.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -113.84 -71.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -169.11 176.44 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -167.76 -61.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.43 93.03 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.09 162.42 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 5.0 tt0 -86.6 143.43 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 39.8 t -118.27 134.09 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 152.63 75.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.83 15.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -93.96 11.44 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.745 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.1 tp -40.77 -32.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.3 m-85 -65.83 -61.22 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -56.0 -36.61 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.88 -47.02 83.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 22' ' ' ILE . 78.1 t -55.74 -66.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -43.49 -49.97 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -41.47 84.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 11.1 tp10 -63.96 -45.36 89.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.8 mt -63.33 -44.32 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.51 -11.33 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -52.77 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.652 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.25 -6.75 59.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.2 t 53.34 43.51 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.633 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -107.12 160.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.48 138.69 37.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.944 ' HB3' HD23 ' A' ' 52' ' ' LEU . 61.3 mt-30 -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -65.5 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.955 HG13 ' HG3' ' A' ' 94' ' ' GLU . 11.5 t -41.16 -49.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.761 ' CG ' HD21 ' A' ' 30' ' ' LEU . 30.5 t80 -65.51 -62.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.2 -32.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 40' ' ' PHE . 1.1 tpt85 -71.59 -51.49 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 40' ' ' PHE . 5.9 m -84.52 7.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.513 ' CB ' ' CD1' ' A' ' 45' ' ' PHE . . . -102.33 -57.33 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -149.01 24.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 56.53 64.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.598 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 7.2 mmt-85 -139.35 -177.71 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 p -104.27 -169.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 44.1 tt0 -88.23 -56.07 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.56 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -79.51 -68.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.944 HD23 ' HB3' ' A' ' 37' ' ' GLN . 21.8 tp -39.73 -37.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -61.53 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.5 pt-20 -49.62 -32.14 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLU . 96.8 mt -71.85 -43.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 11.7 mt -75.27 -13.52 60.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -88.83 -49.45 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -83.83 -37.21 22.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.7 mt-10 59.26 46.7 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.83 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -43.87 139.28 2.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.51 -28.76 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.6 p -116.29 -12.48 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -48.13 172.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -110.2 155.07 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 71' ' ' VAL . 18.6 pt20 -42.07 -43.11 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -55.54 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.674 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -68.46 -54.45 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -43.78 -45.83 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.7 t -50.15 -42.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.6 m-20 -74.91 -50.53 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' A' ' 69' ' ' LEU . 66.7 mt -48.21 -46.98 35.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -65.37 -42.0 93.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.55 -54.36 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.56 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 26.9 mtm -49.94 -63.6 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -44.53 -34.29 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.79 -43.22 93.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.488 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 43.6 t80 -71.79 -36.76 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.95 -15.42 62.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -82.13 -15.75 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 82' ' ' LEU . 23.8 mt -69.85 161.21 76.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.06 141.1 26.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -42.89 -41.45 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.4 m -55.11 -41.03 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' PRO . 17.1 mt-10 -67.01 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 14.0 mtm105 -55.25 -46.31 76.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -52.41 -51.45 59.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -44.87 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' GLU . 54.7 mt -52.02 -48.22 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -58.53 -47.57 83.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -67.68 -38.7 84.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -31.28 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.955 ' HG3' HG13 ' A' ' 39' ' ' VAL . 6.8 tp10 -81.86 -40.29 22.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -57.04 -39.94 75.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.9 m 51.63 81.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.97 176.04 39.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.5 168.53 5.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.51 160.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.32 162.62 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.3 -65.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.78 128.46 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.22 155.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.956 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.3 130.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.96 88.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.431 1.082 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -108.24 102.32 45.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -174.75 2.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.14 154.53 2.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.64 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.431 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.1 m -135.65 -65.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 12' ' ' THR . 0.8 OUTLIER 175.56 170.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p -168.24 113.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.9 147.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.31 139.71 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -179.27 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.82 126.69 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -86.09 151.16 53.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.47 19.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.09 12.21 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.4 tp -44.87 -33.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.8 m-85 -65.91 -59.81 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -58.19 -33.58 69.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.64 -47.57 85.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 22' ' ' ILE . 65.3 t -55.42 -63.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -45.81 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -34.79 78.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 10.1 tp10 -67.23 -45.11 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' CG ' ' A' ' 40' ' ' PHE . 24.0 mt -63.46 -44.54 94.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -10.61 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -52.41 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.08 -3.08 58.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.4 t 48.7 46.46 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.674 HG23 ' N ' ' A' ' 36' ' ' SER . 1.5 m -103.72 179.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.674 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.57 138.74 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HB3' HD23 ' A' ' 52' ' ' LEU . 31.6 mt-30 -42.12 -27.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -77.96 -56.9 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 94' ' ' GLU . 24.2 t -48.55 -45.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.769 ' CG ' HD21 ' A' ' 30' ' ' LEU . 77.5 t80 -67.04 -63.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -49.64 -22.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 40' ' ' PHE . 3.0 tpt180 -76.64 -34.32 58.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.802 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 12.0 m -102.15 -9.33 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -80.85 -57.5 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.34 30.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 50.98 65.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 13.2 mmt-85 -136.17 175.32 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -98.69 -166.58 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -92.57 -48.22 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.17 -25.68 4.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.1 tm? -89.12 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 41' ' ' ALA . 19.0 tp -44.9 -34.29 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -62.83 -58.02 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.48 -29.81 37.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.457 HD11 HD11 ' A' ' 51' ' ' LEU . 85.8 mt -73.67 -42.74 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.3 -14.25 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -91.09 -46.25 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -84.79 -37.2 21.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 50.6 mt-10 58.49 46.91 14.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.86 104.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -44.2 137.88 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -95.13 -27.32 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -114.29 -16.64 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -47.85 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLN . 6.4 p -116.04 153.26 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 71' ' ' VAL . 26.7 pt20 -38.21 -43.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -56.39 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.695 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.7 tt -69.78 -51.92 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.57 -44.11 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.1 t -50.42 -40.53 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' LEU . 77.1 m-20 -76.29 -46.64 26.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 69' ' ' LEU . 52.3 mt -53.58 -49.93 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -58.04 -46.68 84.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.68 -54.24 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -49.29 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.618 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.45 -33.37 30.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.9 -36.28 75.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 51.9 t80 -78.27 -30.29 48.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 52.2 mt -74.49 -15.56 60.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -83.12 -23.43 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 16.7 mt -52.12 165.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 135.15 18.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -45.78 -42.57 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.19 -35.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -70.99 -59.31 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -50.14 -43.82 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -54.35 -48.96 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -70.44 -47.19 61.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 88.5 mt -49.79 -52.17 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.6 m-85 -57.98 -40.95 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.78 -52.48 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.89 61.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.668 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -54.56 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -55.55 -50.1 70.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.27 79.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.04 159.74 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 167.33 27.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.2 m 66.07 121.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.99 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.0 t -157.2 -59.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.66 93.87 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -177.3 117.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.65 105.95 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p 175.14 151.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.966 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.65 130.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.97 -179.57 19.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -128.95 144.21 51.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' LYS . 18.4 Cg_endo -74.98 -172.73 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.25 146.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.91 41.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.7 p -144.69 129.66 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -141.36 167.47 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -158.6 -60.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.7 153.46 19.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.05 145.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -124.09 178.69 5.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.01 134.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.22 150.18 37.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.66 21.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.98 10.0 41.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 tp -43.26 -33.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -65.2 -57.67 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -56.94 -30.42 64.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 52' ' ' LEU . 77.4 t -58.08 -62.18 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -44.15 -42.79 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.21 -38.93 72.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.2 tp10 -63.27 -47.85 80.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' SER . 22.5 mt -59.87 -47.11 87.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -10.78 49.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -52.28 4.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.664 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.66 -6.61 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 t 53.67 43.32 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.617 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.29 168.95 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.504 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.8 146.49 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.629 ' O ' HD23 ' A' ' 52' ' ' LEU . 38.5 mt-30 -48.07 -23.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.04 -60.23 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.912 HG13 ' HG3' ' A' ' 94' ' ' GLU . 3.2 t -40.61 -46.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 32.6 t80 -67.18 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -38.31 -31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.8 tpt180 -71.84 -53.45 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.641 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.7 m -83.33 6.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -102.2 -57.45 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -152.86 31.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t30 51.35 65.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 2.3 mmt180 -137.96 -178.35 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.48 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 70.3 p -104.02 -150.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -105.13 -51.96 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.99 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.86 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 51' ' ' LEU . 29.1 tp -41.23 -29.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 51' ' ' LEU . 6.5 t -65.52 -52.64 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.4 pt-20 -58.97 -36.26 74.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 51' ' ' LEU . 69.6 mt -69.37 -15.3 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -105.01 -14.58 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -91.54 -55.87 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -26.46 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.58 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 58.1 mt-10 51.28 52.66 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.82 104.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -43.37 136.06 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.513 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -34.18 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.8 p -113.76 -19.77 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.48 145.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 147.3 38.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 71' ' ' VAL . 5.4 mt-30 -42.14 -45.31 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -44.89 64.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.696 HD22 HD11 ' A' ' 73' ' ' LEU . 2.0 tt -75.12 -55.45 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 62' ' ' PRO . 7.5 mt -44.29 -44.75 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.0 t -48.88 -40.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 73.6 m-20 -76.35 -49.18 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.696 HD11 HD22 ' A' ' 69' ' ' LEU . 60.7 mt -51.22 -51.43 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.82 -44.18 90.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.57 -51.1 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.573 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.0 mtm -53.37 -61.2 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.2 tp60 -48.07 -31.53 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.0 -35.56 74.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.641 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.1 t80 -77.27 -37.26 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD22 ' OE1' ' A' ' 29' ' ' GLU . 65.7 mt -68.55 -14.75 63.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -80.07 -31.89 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 82' ' ' LEU . 12.4 mt -47.59 163.7 0.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 132.44 15.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -42.15 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.516 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.06 -38.54 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.516 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.73 -58.36 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.5 mtm105 -49.21 -47.94 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -50.85 -46.54 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -71.06 -47.76 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 94' ' ' GLU . 61.7 mt -47.81 -54.84 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.664 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 29.5 m-85 -55.61 -42.71 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.33 -49.02 71.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -21.71 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.912 ' HG3' HG13 ' A' ' 39' ' ' VAL . 5.7 tp10 -84.0 -43.1 15.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -46.14 -42.11 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t 63.61 73.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.95 154.01 8.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.35 12.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.07 154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.57 149.73 29.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p 179.89 168.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 p 59.32 157.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.34 87.15 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -165.44 138.61 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.47 152.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.87 108.29 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.67 107.6 3.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.7 12.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -164.78 153.56 11.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.03 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.587 HG22 ' OD1' ' A' ' 13' ' ' ASN . 2.2 m -115.07 -70.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.587 ' OD1' HG22 ' A' ' 12' ' ' THR . 35.2 p-10 -175.57 127.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.4 80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.68 81.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.6 m -67.57 176.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.77 172.66 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.89 138.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -87.8 154.53 53.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.6 21.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.79 17.34 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.7 tp -51.71 -36.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 30.0 m-85 -60.99 -56.31 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.13 -34.63 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -59.0 -47.88 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' ILE . 95.0 t -56.3 -65.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -41.84 -61.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -51.36 -45.29 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 10.5 tp10 -55.73 -51.23 68.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 34' ' ' SER . 12.8 mt -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.33 -11.1 49.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -52.96 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.79 -5.81 59.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.0 t 51.66 43.96 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -104.29 169.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -88.14 139.43 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.602 ' HB3' HD23 ' A' ' 52' ' ' LEU . 36.4 mt-30 -40.62 -34.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.23 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 ' HB3' ' A' ' 94' ' ' GLU . 19.7 t -40.86 -49.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' HA ' HG22 ' A' ' 43' ' ' VAL . 29.9 t80 -65.28 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -36.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 40' ' ' PHE . 14.2 m -99.85 7.51 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.55 -57.0 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -145.22 21.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.94 65.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.2 mmt180 -134.88 -173.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.1 p -104.07 -156.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.107 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.15 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.46 -34.61 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -75.12 -64.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 51' ' ' LEU . 24.7 tp -43.34 -48.41 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.72 -49.44 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -27.87 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 51' ' ' LEU . 83.3 mt -76.54 -19.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.2 mt -101.72 -16.3 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -60.54 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -78.81 -25.19 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.9 mt-10 49.65 48.66 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -46.56 104.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.614 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.02 139.28 3.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -88.26 -34.84 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -113.14 -21.44 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.67 141.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.62 151.55 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.7 mt-30 -43.9 -44.19 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 p -50.33 -47.18 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.651 HD22 HD11 ' A' ' 73' ' ' LEU . 1.9 tt -75.2 -54.39 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.9 -42.78 6.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.1 t -51.41 -42.64 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.1 m-20 -73.59 -46.84 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.765 HD23 ' HE1' ' A' ' 76' ' ' MET . 60.1 mt -53.02 -51.41 61.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -53.68 -48.52 69.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.737 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.56 -51.14 70.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.765 ' HE1' HD23 ' A' ' 73' ' ' LEU . 30.5 mtm -52.09 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.598 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -51.97 -31.78 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.81 -38.51 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.825 ' HE1' HG21 ' A' ' 90' ' ' ILE . 80.6 t80 -75.03 -32.88 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -76.07 -17.84 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -79.67 -18.44 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 ' OE2' ' A' ' 86' ' ' GLU . 14.5 mt -62.38 162.52 18.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 137.63 21.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.86 -46.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -50.45 -42.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.8 mt-10 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 6.8 mtm105 -53.44 -46.69 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.43 -55.21 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -48.75 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.825 HG21 ' HE1' ' A' ' 79' ' ' PHE . 70.3 mt -45.83 -53.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.646 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 20.2 m-85 -56.08 -49.07 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ASP . 2.9 tp-100 -56.89 -61.78 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' GLN . 2.1 t0 -39.67 -52.38 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.458 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -44.65 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -56.95 -52.78 63.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.36 97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.24 157.62 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.85 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.66 127.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.1 t -167.01 -61.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -163.36 153.09 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 109.959 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -179.08 155.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.68 156.1 6.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -178.53 166.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.65 131.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.07 95.67 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.89 113.64 56.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -119.74 100.75 48.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.72 8.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 55.95 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -167.5 166.48 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m -148.23 80.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.2 p 41.19 83.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.59 159.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 3.6 tt0 -82.05 143.51 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 41.7 t -111.04 121.74 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 153.76 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.69 16.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.31 13.29 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 tp -47.32 -35.25 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.9 m-85 -66.12 -61.27 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -56.2 -29.88 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -64.3 -51.22 64.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 22' ' ' ILE . 87.0 t -54.06 -61.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.54 -58.67 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.33 -30.74 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.51 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.9 tp10 -69.12 -47.28 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD13 ' HG3' ' A' ' 37' ' ' GLN . 25.7 mt -60.98 -41.73 97.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.94 -10.59 59.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -51.26 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -90.73 -5.69 55.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.8 t 53.08 40.8 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.644 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -103.76 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.81 139.77 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.603 ' HG3' HD13 ' A' ' 30' ' ' LEU . 37.6 mt-30 -39.58 -35.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -64.66 -63.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.776 HG13 ' HB3' ' A' ' 94' ' ' GLU . 17.9 t -44.12 -47.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' HA ' HG22 ' A' ' 43' ' ' VAL . 28.6 t80 -67.35 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -47.95 -26.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.47 -35.26 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.621 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 14.9 m -101.23 7.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.35 -57.17 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.608 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -142.49 18.56 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t30 60.16 64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -136.64 -175.41 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -100.96 -165.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 3.2 tm0? -94.49 -54.79 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.68 -26.18 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.89 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.679 HD22 ' HB2' ' A' ' 41' ' ' ALA . 28.8 tp -43.9 -34.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -62.74 -54.21 42.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.92 -32.11 65.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.444 HD11 HD21 ' A' ' 51' ' ' LEU . 64.4 mt -69.78 -39.13 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.48 -15.9 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -92.17 -42.48 9.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -87.21 -41.19 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 16.3 mt-10 59.57 45.26 13.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -47.67 105.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m-20 -43.49 139.05 2.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 -35.32 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 p -113.66 -19.02 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.355 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.36 144.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -79.21 150.02 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -41.07 -47.09 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -48.43 -45.63 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.768 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -77.49 -53.94 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.73 -43.17 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.55 -42.93 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' LEU . 84.9 m-20 -76.71 -47.71 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 69' ' ' LEU . 61.0 mt -50.57 -46.92 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.433 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 77.8 mtt180 -63.41 -44.79 93.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.45 -52.55 64.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.565 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -48.49 -61.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -50.74 -35.84 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.469 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 1.5 t-20 -67.8 -24.0 65.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.801 ' HE1' HG21 ' A' ' 90' ' ' ILE . 75.0 t80 -93.14 -27.96 16.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 26' ' ' VAL . 83.6 mt -81.05 -20.2 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.511 ' C ' ' OD1' ' A' ' 81' ' ' ASN . 42.7 p30 -91.95 10.07 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.2 mt -83.75 164.96 42.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.99 135.84 19.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -43.04 -44.33 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.11 -40.44 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -68.81 -59.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -51.53 -47.24 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.86 -60.69 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -49.23 76.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.801 HG21 ' HE1' ' A' ' 79' ' ' PHE . 61.9 mt -45.57 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -50.87 -48.69 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -55.54 -50.96 68.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.33 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.776 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -41.86 -63.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -47.53 -52.44 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.99 83.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 146.92 139.28 3.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.67 38.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -155.99 -61.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.2 t -122.61 -57.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.976 . . . . . . . . 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 . . . . . . . . . . . . . 0.1 OUTLIER -101.38 172.07 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.052 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -93.73 167.95 11.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.01 130.62 6.94 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.47 84.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.724 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -169.92 92.36 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.35 -121.94 1.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -74.99 118.7 72.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.07 4.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -177.9 105.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.259 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.2 7.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.58 140.45 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.25 134.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.29 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 m 51.35 62.03 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.53 178.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -91.23 173.61 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.63 149.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.643 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -100.5 152.34 37.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -101.76 2.97 39.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 19' ' ' SER . 1.3 tp -41.56 -37.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.4 m-85 -65.0 -61.55 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -58.15 -29.05 65.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -64.59 -57.5 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' ILE . 65.6 t -46.3 -57.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -47.46 -53.57 13.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.55 -35.05 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' HD22 ' A' ' 80' ' ' LEU . 4.5 tp10 -65.97 -47.97 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 40' ' ' PHE . 11.8 mt -60.35 -43.67 96.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -10.67 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -51.69 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.18 -6.07 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 7.0 t 54.15 42.5 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.647 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.9 m -107.45 174.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.632 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -100.04 140.58 34.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.51 ' HG3' HD13 ' A' ' 30' ' ' LEU . 14.4 mt-30 -37.12 -42.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -56.98 -68.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 94' ' ' GLU . 42.7 t -44.78 -58.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CG ' HD21 ' A' ' 30' ' ' LEU . 4.2 t80 -51.3 -44.63 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -66.84 -33.61 75.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.2 tpt85 -64.64 -27.34 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' CE1' ' A' ' 79' ' ' PHE . 8.0 m -102.65 -32.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -61.36 -57.56 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.1 p90 -149.15 36.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 42.36 66.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -133.74 -176.44 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -101.05 -158.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.592 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 2.6 tt0 -101.65 -57.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.04 -29.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -83.18 -67.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.672 ' N ' HD13 ' A' ' 51' ' ' LEU . 31.3 tp -42.44 -37.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -51.34 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 3.1 pt-20 -61.58 -32.56 72.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 mt -69.67 -20.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 mt -98.73 -17.88 18.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -48.87 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -85.22 -20.17 30.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.612 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 41.9 mt-10 42.27 48.63 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.57 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -47.64 104.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 6.2 t0 -44.53 137.05 4.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -89.8 -35.61 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -113.54 -19.38 11.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.85 136.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.94 154.29 37.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.9 mt-30 -50.19 -37.04 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -42.81 86.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -77.99 -53.22 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 62' ' ' PRO . 6.5 mt -44.62 -46.6 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.0 t -47.63 -40.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 78.8 m-20 -79.26 -50.47 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 69' ' ' LEU . 65.6 mt -48.6 -43.66 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -62.28 -46.21 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.25 -57.09 14.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.508 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.4 mtm -46.06 -63.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.74 -29.35 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.35 -28.88 53.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.704 ' CE1' HG23 ' A' ' 43' ' ' VAL . 66.4 t80 -80.15 -35.22 36.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.503 HD22 ' OE1' ' A' ' 29' ' ' GLU . 62.2 mt -72.64 -15.55 61.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.73 -27.44 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.7 164.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.47 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.97 132.35 15.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -42.31 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.515 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.8 -38.67 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.5 -58.56 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.7 mtm105 -48.51 -40.19 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -49.17 74.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.61 -42.94 73.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 94.2 mt -53.37 -59.92 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.647 ' CD1' HG11 ' A' ' 35' ' ' VAL . 24.3 m-85 -49.53 -41.41 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -66.34 -53.89 30.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -45.05 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.582 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -52.88 -63.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -57.7 -51.34 69.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.17 138.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.54 -136.48 4.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 138.84 23.64 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.3 p -84.99 -58.6 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 p -65.4 145.61 55.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.78 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -154.48 170.23 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.63 164.21 35.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -152.53 165.85 33.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.14 -51.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.56 131.14 42.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -148.29 107.48 3.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -170.04 156.38 5.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -63.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m 61.36 139.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 70.03 164.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -150.13 -56.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.409 ' HB3' ' NH2' ' A' ' 74' ' ' ARG . 16.4 m -136.58 27.01 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.056 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 t 62.15 140.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.97 158.45 15.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -138.41 137.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 151.3 40.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -19.19 17.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -97.0 14.0 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.6 tp -42.66 -32.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.6 m-85 -65.67 -59.71 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -57.03 -35.99 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.41 -52.24 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 22' ' ' ILE . 73.7 t -51.43 -63.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.1 -50.08 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -43.75 97.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 40' ' ' PHE . 4.4 tm-20 -57.67 -44.13 85.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD13 ' HG3' ' A' ' 37' ' ' GLN . 19.8 mt -61.97 -49.67 75.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' CD ' ' C ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.76 -11.35 45.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -51.6 6.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -91.46 -2.83 57.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.5 t 51.03 46.2 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.657 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -106.76 176.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.657 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.07 138.75 34.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HG3' HD13 ' A' ' 30' ' ' LEU . 15.8 mt-30 -40.42 -28.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.788 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -72.45 -67.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.784 HG13 ' HB3' ' A' ' 94' ' ' GLU . 40.7 t -41.24 -57.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CD1' ' OE1' ' A' ' 29' ' ' GLU . 27.7 t80 -51.13 -38.97 55.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -70.13 -48.67 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -49.28 -26.24 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.6 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 32.7 m -103.48 -48.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 43' ' ' VAL . . . -47.25 -58.07 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.4 p90 -150.4 43.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' PHE . 5.6 t-20 35.37 66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.81 176.25 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.2 p -95.3 -169.54 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.788 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -92.45 -56.69 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.43 -29.74 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.553 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -81.77 -62.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 37' ' ' GLN . 41.1 tp -47.63 -35.57 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -51.64 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.32 -28.49 69.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -73.45 -22.43 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.96 -19.52 19.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -83.95 -48.58 9.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -83.96 -37.97 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 15.7 mt-10 60.19 49.0 7.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.581 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -47.38 104.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.737 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.2 m-20 -44.63 137.08 4.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.07 1.55 7.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -89.06 -37.44 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.437 HG22 ' HB2' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -114.37 -17.69 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -38.89 147.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.0 153.38 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.11 -45.6 22.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -37.1 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.743 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -84.63 -54.42 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 62' ' ' PRO . 8.6 mt -45.6 -42.57 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.87 -39.61 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 3.2 m-20 -79.17 -51.81 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.743 HD21 ' CD2' ' A' ' 69' ' ' LEU . 69.0 mt -46.02 -39.52 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 15' ' ' SER . 29.0 mtt180 -68.28 -44.31 75.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -59.26 -55.87 29.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.517 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 29.2 mtm -47.29 -64.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.758 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.7 tp60 -51.44 -38.4 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.5 -38.46 89.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CZ ' ' CG2' ' A' ' 43' ' ' VAL . 88.2 t80 -74.72 -23.17 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.08 -21.57 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -74.89 -17.91 60.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 82' ' ' LEU . 14.0 mt -58.03 164.11 3.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.1 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.45 -37.87 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.1 m -60.77 -39.07 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.4 mm-40 -69.74 -59.17 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.6 mtm105 -44.68 -46.71 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.35 -41.26 75.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.89 -54.54 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.533 HG22 HG11 ' A' ' 43' ' ' VAL . 97.9 mt -43.69 -50.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.64 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 19.6 m-85 -58.48 -44.64 89.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -58.15 -44.87 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -38.1 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.784 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -59.51 -60.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -57.35 -49.34 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -47.15 102.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.56 -93.39 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.8 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' GLY . 8.4 t -72.45 -50.09 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.56 -85.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -90.83 155.63 45.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.28 14.93 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 16.62 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.2 tp -48.1 -38.67 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 25.7 m-85 -61.92 -60.43 3.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.89 -34.03 58.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -59.63 -56.95 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -52.73 -60.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 56' ' ' LEU . 6.9 mtp180 -44.48 -51.19 9.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.89 -45.83 92.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.3 tp10 -53.26 -48.79 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.1 mt -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -11.06 48.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -85.05 -4.79 59.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 52.13 42.96 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.669 HG23 ' N ' ' A' ' 36' ' ' SER . 1.9 m -103.66 178.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.669 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.77 137.35 41.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HB3' HD23 ' A' ' 52' ' ' LEU . 47.9 mt-30 -39.84 -30.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -67.86 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.772 HG13 ' HB3' ' A' ' 94' ' ' GLU . 42.1 t -45.82 -52.96 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.613 ' HA ' HG22 ' A' ' 43' ' ' VAL . 29.2 t80 -59.1 -65.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.7 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -42.34 -38.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -66.96 -43.45 83.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.613 HG22 ' HA ' ' A' ' 40' ' ' PHE . 8.9 m -91.71 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.67 -57.39 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -148.68 24.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 57.51 65.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -136.29 -175.8 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -107.04 -157.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 13.2 tt0 -97.67 -57.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.54 -28.77 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -84.9 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 41' ' ' ALA . 43.3 tp -46.41 -38.25 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -44.87 89.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 51' ' ' LEU . 75.6 mt -75.52 -20.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 27' ' ' ARG . 10.8 mt -98.33 -13.69 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -93.19 -49.39 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -84.48 -28.67 26.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 mt-10 49.33 48.83 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.8 104.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -44.06 138.09 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.34 9.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -90.96 -30.49 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' ALA . 16.6 p -113.42 -22.59 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.443 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.44 148.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.44 151.43 22.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 71' ' ' VAL . 11.7 pt20 -39.01 -44.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.13 -56.25 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 73' ' ' LEU . 2.3 tt -69.33 -50.56 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.77 -42.25 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.4 t -51.42 -41.05 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.8 -50.47 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 69' ' ' LEU . 68.6 mt -47.68 -52.51 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -55.36 -46.65 76.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.72 -56.82 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.5 mtm -46.65 -62.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.434 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -50.56 -27.06 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -74.45 -30.98 62.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 34.8 t80 -80.85 -38.46 28.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.51 -11.02 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.99 -30.42 24.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 82' ' ' LEU . 13.2 mt -47.68 163.9 0.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.57 16.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -45.1 -39.1 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.2 m -59.73 -39.17 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.7 mm-40 -70.48 -59.07 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -45.69 -43.02 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.71 -45.52 85.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -74.0 -52.51 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.414 HD11 HD13 ' A' ' 82' ' ' LEU . 93.8 mt -42.06 -49.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 18.9 m-85 -61.47 -49.57 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.79 -42.91 76.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -40.39 81.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.772 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -92.11 152.15 42.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.98 8.39 43.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 19' ' ' SER . 1.1 tp -41.01 -38.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.9 m-85 -63.05 -60.9 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -54.93 -32.21 61.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -62.2 -54.36 42.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -53.31 -60.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -44.86 -49.61 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -45.27 89.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.95 -49.39 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.538 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.8 mt -58.55 -48.73 79.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -10.97 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -90.56 -53.19 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.9 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 t 55.11 39.19 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.646 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m -105.83 163.97 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 35' ' ' VAL . 66.0 p -84.53 161.3 20.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.519 ' HB3' HD23 ' A' ' 52' ' ' LEU . 40.3 mt-30 -59.75 -29.65 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.55 -62.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HB3' ' A' ' 94' ' ' GLU . 38.9 t -43.27 -50.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' HA ' HG22 ' A' ' 43' ' ' VAL . 35.1 t80 -63.03 -64.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.726 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -44.35 -29.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -74.58 -41.62 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.658 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.4 m -95.11 8.02 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.4 24.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 55.14 65.13 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.6 mmt180 -135.35 -179.99 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.5 p -101.13 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -101.0 -48.8 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.42 -27.76 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.67 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -86.53 -68.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 41' ' ' ALA . 43.5 tp -40.06 -35.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -63.69 -57.63 9.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.55 -23.78 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' GLU . 92.5 mt -79.27 -42.64 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.49 -13.2 60.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -90.02 -48.87 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -85.06 -42.14 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 9.5 mt-10 64.94 45.87 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -47.05 104.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.14 139.14 3.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 0.17 9.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.73 -33.28 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . 9.0 p -113.64 -21.15 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.22 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.1 156.26 19.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 71' ' ' VAL . 11.4 mt-30 -48.28 -38.49 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -37.51 71.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.694 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -86.35 -53.69 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 62' ' ' PRO . 10.2 mt -45.41 -42.02 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.6 t -52.57 -39.72 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 82.4 m-20 -80.07 -51.0 9.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 69' ' ' LEU . 57.9 mt -48.84 -48.51 41.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -58.85 -46.43 87.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.16 -56.97 14.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.581 ' HE1' HD23 ' A' ' 73' ' ' LEU . 31.2 mtm -45.63 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -50.5 -28.9 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.14 -29.65 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.658 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 66.5 t80 -81.91 -35.74 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 44.3 mt -72.02 -12.25 61.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -84.96 -28.69 25.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.4 mt -45.66 164.71 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.75 15.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -44.29 -40.24 5.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.64 -39.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.0 mm-40 -69.53 -59.51 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.608 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -46.29 -48.25 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.85 -45.26 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -53.66 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -43.71 -52.37 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.658 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 18.2 m-85 -56.04 -48.62 75.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -56.16 -57.49 11.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -43.12 -53.2 5.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.724 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -93.32 152.91 41.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.7 17.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.08 10.17 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.3 tp -42.73 -38.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 29.8 m-85 -60.23 -59.26 5.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.01 -37.98 78.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.1 -53.08 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' GLU . 52.7 t -53.96 -66.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -39.99 -51.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.29 -41.05 98.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' VAL . 16.3 tp10 -60.62 -44.83 95.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.5 mt -63.81 -45.35 90.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.69 -11.11 59.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -50.26 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -91.86 -1.85 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER 47.59 49.08 16.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' N ' ' A' ' 36' ' ' SER . 1.6 m -103.8 178.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.668 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.38 135.76 37.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.706 ' HB3' HD23 ' A' ' 52' ' ' LEU . 49.7 mt-30 -41.94 -29.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.19 -61.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.713 HG13 ' HB3' ' A' ' 94' ' ' GLU . 53.3 t -43.16 -51.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.691 ' CG ' HD21 ' A' ' 30' ' ' LEU . 53.4 t80 -60.74 -64.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -43.25 -34.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -43.59 72.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG11 ' OE1' ' A' ' 94' ' ' GLU . 13.4 m -92.88 8.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.45 -57.42 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.606 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -149.73 26.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 55.35 65.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.1 mmt-85 -135.28 -172.62 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.3 p -107.99 -145.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 51' ' ' LEU . 13.5 tt0 -112.33 -55.63 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.39 -27.85 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -85.87 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.706 HD23 ' HB3' ' A' ' 37' ' ' GLN . 18.5 tp -41.85 -36.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -59.05 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.2 pt-20 -52.01 -31.13 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 82.1 mt -72.23 -43.6 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.6 -14.01 60.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -90.62 -48.15 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -83.63 -34.59 25.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.615 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 45.0 mt-10 57.17 46.23 19.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.576 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -46.73 104.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 3.1 m-20 -43.81 137.12 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -34.69 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' ALA . 10.7 p -113.25 -21.35 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.13 139.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -71.58 154.36 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.7 mt-30 -46.93 -38.93 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.98 68.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.717 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.57 -54.36 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.78 -45.08 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.8 t -48.96 -42.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.0 m-20 -78.16 -50.7 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.717 HD21 ' CD2' ' A' ' 69' ' ' LEU . 62.3 mt -47.23 -52.49 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -58.35 -44.25 88.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.42 -57.21 13.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.556 ' HE1' HD23 ' A' ' 73' ' ' LEU . 28.7 mtm -45.95 -64.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -49.15 -27.75 3.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -72.5 -35.12 68.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 65.9 t80 -77.81 -40.69 39.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.29 -13.1 34.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -81.76 -28.84 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 82' ' ' LEU . 14.0 mt -48.65 162.53 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.17 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.38 -40.14 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -58.59 -39.35 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.4 mm-40 -71.28 -58.55 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.45 -42.52 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -43.36 97.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -73.07 -51.58 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 83.0 mt -44.18 -55.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.654 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 22.7 m-85 -54.38 -46.91 73.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -53.85 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 -52.96 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.713 ' HB3' HG13 ' A' ' 39' ' ' VAL . 2.0 mp0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.62 HG21 ' HG3' ' A' ' 74' ' ' ARG . 46.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -79.72 150.75 73.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -14.57 21.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -102.24 12.16 37.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.796 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 tp -44.25 -27.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.1 m-85 -69.98 -58.87 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.96 -32.56 66.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.78 -43.07 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 22' ' ' ILE . 90.4 t -63.65 -62.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HG3' HD22 ' A' ' 56' ' ' LEU . 1.1 mtt180 -45.69 -45.63 14.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -69.35 -31.01 69.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 6.8 tp10 -70.16 -46.16 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.711 HD21 ' CG ' ' A' ' 40' ' ' PHE . 23.0 mt -63.29 -45.97 88.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -11.07 45.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -89.28 -53.55 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -86.1 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t 51.42 44.59 28.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.579 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.8 m -104.06 167.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.481 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.58 138.85 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' CB ' HD23 ' A' ' 52' ' ' LEU . 36.5 mt-30 -42.96 -28.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -76.17 -56.81 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG13 ' CB ' ' A' ' 94' ' ' GLU . 22.3 t -45.67 -48.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.711 ' CG ' HD21 ' A' ' 30' ' ' LEU . 77.9 t80 -65.72 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.32 -33.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' NH1' ' ND2' ' A' ' 46' ' ' ASN . 2.2 tpt180 -70.97 -51.4 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 40' ' ' PHE . 6.1 m -84.92 7.64 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.72 -57.43 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.55 25.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.436 ' ND2' ' NH1' ' A' ' 42' ' ' ARG . 23.8 t-20 56.55 64.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -134.66 -175.23 3.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.1 p -101.15 -166.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -97.28 -39.9 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.2 -25.57 62.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -82.45 -60.26 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.62 HD11 HG11 ' A' ' 26' ' ' VAL . 33.2 tp -46.56 -39.62 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -44.67 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.47 HD11 HD11 ' A' ' 51' ' ' LEU . 84.4 mt -77.15 -24.44 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 27' ' ' ARG . 13.1 mt -91.21 -13.98 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -92.98 -46.25 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -85.62 -42.8 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.599 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.2 mt-10 62.87 45.43 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.533 ' CB ' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -46.85 104.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.695 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -42.74 137.78 2.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.07 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -89.34 -35.57 16.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -113.9 -20.67 10.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.65 140.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -69.19 145.6 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -41.15 -41.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -45.29 69.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.71 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -75.56 -54.58 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 62' ' ' PRO . 6.9 mt -43.26 -45.57 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -48.91 -43.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.7 m-20 -76.82 -50.73 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.71 HD21 ' CD2' ' A' ' 69' ' ' LEU . 66.8 mt -47.65 -47.38 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.62 ' HG3' HG21 ' A' ' 18' ' ' VAL . 34.4 mtt180 -65.13 -43.38 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.32 -55.52 32.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.556 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.3 mtm -47.9 -61.6 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -48.93 -28.94 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.72 -34.71 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.5 t80 -76.64 -41.42 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.93 -11.1 44.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -84.59 -13.63 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' OE2' ' A' ' 86' ' ' GLU . 21.9 mt -72.7 158.19 87.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.96 142.82 28.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -42.77 -42.82 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -53.42 -41.49 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' OE2' HD22 ' A' ' 82' ' ' LEU . 14.8 mt-10 -66.85 -60.06 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.6 mtm105 -54.59 -43.78 72.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.61 -56.5 14.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -67.75 -48.88 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 68.0 mt -45.06 -54.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.602 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 20.1 m-85 -56.35 -47.44 78.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.43 -55.48 33.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -40.16 22.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.496 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -88.83 154.8 50.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.68 14.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.02 11.4 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.732 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.5 tp -44.16 -34.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 19.5 m-85 -67.18 -58.15 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -60.77 -27.44 67.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -67.1 -48.87 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 22' ' ' ILE . 95.4 t -55.66 -58.17 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -46.84 -43.48 18.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -67.32 -38.78 85.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tp10 -62.12 -46.76 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.49 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.4 mt -63.37 -41.5 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.68 -10.88 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -51.06 5.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -88.59 -5.01 58.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 51.39 44.82 28.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -107.06 171.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.562 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -93.91 139.98 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.539 ' HB3' HD23 ' A' ' 52' ' ' LEU . 57.6 mt-30 -38.96 -38.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -62.43 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.542 HG13 ' CB ' ' A' ' 94' ' ' GLU . 37.2 t -40.07 -51.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' HA ' HG22 ' A' ' 43' ' ' VAL . 19.5 t80 -63.02 -59.55 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -48.58 -26.59 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.45 -35.16 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.692 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.5 m -102.27 7.67 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.21 -57.04 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.18 27.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 53.89 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.1 mmt180 -138.99 173.63 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.4 p -95.2 -163.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.1 tt0 -92.58 -58.19 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . . . -37.68 -33.84 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -79.01 -68.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' ' 51' ' ' LEU . 40.7 tp -41.93 -38.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -52.26 66.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.0 pt-20 -59.91 -32.21 70.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.441 HD11 HD11 ' A' ' 51' ' ' LEU . 98.3 mt -70.2 -23.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.42 -19.02 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -87.14 -45.93 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.3 -37.2 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 49.0 mt-10 57.66 45.33 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.82 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.85 138.85 3.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.99 -1.95 11.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.84 -31.1 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -113.42 -24.12 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.42 154.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.41 155.37 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.4 mt-30 -47.82 -40.51 21.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -44.65 74.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.639 HD22 HD11 ' A' ' 73' ' ' LEU . 1.5 tt -76.22 -56.61 4.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.8 mt -43.96 -40.95 5.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.7 t -52.42 -43.47 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' LEU . 75.9 m-20 -74.28 -49.27 23.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.649 HD23 ' HE1' ' A' ' 76' ' ' MET . 67.4 mt -47.55 -54.36 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -50.02 -49.72 49.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.12 -55.13 36.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.649 ' HE1' HD23 ' A' ' 73' ' ' LEU . 29.7 mtm -47.5 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.582 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -51.44 -33.66 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.41 -34.55 70.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.7 t80 -76.47 -34.54 58.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 37.5 mt -70.19 -12.49 61.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.83 -26.55 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.47 163.45 0.37 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.96 133.61 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -45.16 -39.35 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.446 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.1 m -59.61 -38.83 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.5 mm-40 -70.65 -59.03 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.97 -43.92 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -43.73 85.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -52.56 11.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.432 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mt -42.4 -51.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.616 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 18.9 m-85 -59.76 -47.06 87.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -56.54 -46.0 80.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -36.93 79.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.542 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.526 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -89.98 154.02 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.39 18.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.95 10.22 41.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.0 tp -44.64 -33.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 24.6 m-85 -65.7 -55.25 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.14 -34.6 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.89 -44.14 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 22' ' ' ILE . 74.0 t -60.09 -62.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -53.06 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -39.82 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 7.7 tp10 -60.75 -45.29 94.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 37' ' ' GLN . 22.1 mt -61.01 -47.49 86.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -10.59 45.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.92 -53.11 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.653 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.1 -5.4 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.1 t 54.32 41.41 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -106.9 164.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -87.8 139.73 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.664 ' HB3' HD23 ' A' ' 52' ' ' LEU . 29.9 mt-30 -38.79 -34.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.38 -66.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.799 HG13 ' HB3' ' A' ' 94' ' ' GLU . 4.8 t -40.8 -47.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.622 ' HA ' HG22 ' A' ' 43' ' ' VAL . 18.3 t80 -64.18 -60.18 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -45.29 -28.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -75.57 -39.66 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.625 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.4 m -96.72 6.89 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.71 -57.17 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.644 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -151.15 29.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 53.12 64.96 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 6.4 mmt180 -136.29 -175.22 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 68.2 p -104.29 -154.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -101.98 -59.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.01 -29.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -81.15 -66.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.675 ' N ' HD13 ' A' ' 51' ' ' LEU . 26.1 tp -43.98 -42.66 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.6 72.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' LEU . 1.4 pt-20 -67.85 -29.51 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 51' ' ' LEU . 76.8 mt -73.86 -18.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.0 -17.0 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -89.52 -50.11 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -83.88 -32.0 25.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.0 mt-10 53.27 47.36 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.507 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.77 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 m-20 -44.08 136.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.505 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.1 Cg_endo -74.98 -0.4 9.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -32.17 15.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -114.88 -15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -43.29 162.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.3 mt-30 -46.19 -42.53 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -38.86 68.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.688 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.53 -53.47 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.21 -43.4 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.9 t -52.55 -40.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.3 m-20 -77.78 -49.74 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.688 HD21 ' CD2' ' A' ' 69' ' ' LEU . 72.3 mt -46.34 -53.77 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -56.86 -45.96 82.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.56 -48.68 80.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.575 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.6 mtm -55.42 -65.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.585 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.52 -29.88 11.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -70.34 -37.36 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.625 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 49.4 t80 -76.79 -37.33 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 40' ' ' PHE . 51.0 mt -71.26 -13.47 61.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -83.83 -24.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 82' ' ' LEU . 16.7 mt -56.98 161.57 4.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.94 140.12 25.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.459 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -53.53 -41.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 15.5 mt-10 -67.16 -60.67 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -54.13 -45.12 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.23 -55.11 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -67.68 -46.78 71.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 67.6 mt -47.71 -57.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.653 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 21.7 m-85 -52.54 -47.07 66.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.74 -42.16 92.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.55 98.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.799 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 40.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -83.88 149.96 57.76 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.56 21.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.91 10.87 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.866 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 tp -42.93 -31.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 17.3 m-85 -67.28 -60.42 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.15 -35.93 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -59.33 -45.16 92.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 22' ' ' ILE . 57.7 t -57.87 -64.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -47.06 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -38.49 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' NH1' ' A' ' 87' ' ' ARG . 14.3 tp10 -66.52 -46.58 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 40' ' ' PHE . 22.5 mt -62.37 -45.29 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -10.55 52.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -89.97 -53.2 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.551 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.45 -2.98 58.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.6 t 47.86 47.37 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.672 HG23 ' N ' ' A' ' 36' ' ' SER . 1.5 m -103.72 179.03 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.672 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -97.26 135.96 38.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.809 ' HB3' HD23 ' A' ' 52' ' ' LEU . 53.2 mt-30 -40.64 -33.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.43 -64.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.895 HG13 ' HB3' ' A' ' 94' ' ' GLU . 66.4 t -41.47 -53.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.618 ' CG ' HD21 ' A' ' 30' ' ' LEU . 17.6 t80 -59.5 -56.53 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -52.21 -28.81 19.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -75.78 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.586 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 6.2 m -101.98 7.65 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.79 -57.16 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -147.86 25.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.38 64.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.4 mmt180 -140.03 176.56 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.1 p -99.04 -176.0 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.78 -45.64 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.64 -31.96 10.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.41 -62.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 37' ' ' GLN . 17.0 tp -46.52 -31.73 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -64.71 -50.86 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.11 -26.01 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 51' ' ' LEU . 71.0 mt -78.25 -42.12 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 13.3 mt -74.95 -12.85 60.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -90.83 -49.0 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -84.92 -42.6 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.7 mt-10 64.8 45.61 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.55 105.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -42.71 138.99 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.69 8.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -89.95 -31.13 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ALA . 69.8 p -114.13 -23.97 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.93 140.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.53 155.05 40.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -46.05 -48.5 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -52.43 16.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.617 HD22 HD11 ' A' ' 73' ' ' LEU . 1.7 tt -69.84 -51.08 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -45.25 -45.12 11.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.68 -38.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.7 m-20 -77.0 -51.71 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 69' ' ' LEU . 57.5 mt -51.17 -46.28 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 44.6 mtt180 -63.97 -41.53 97.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.71 -57.83 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.567 ' HE3' ' HA ' ' A' ' 73' ' ' LEU . 29.8 mtm -44.63 -57.99 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.453 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -54.17 -28.95 43.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.04 -36.27 61.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 36.4 t80 -76.23 -37.67 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.475 HD21 ' HE2' ' A' ' 40' ' ' PHE . 42.6 mt -70.32 -11.81 61.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -83.87 -17.6 40.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.433 HD22 ' CD ' ' A' ' 86' ' ' GLU . 20.2 mt -64.31 161.18 43.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.99 141.26 26.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -43.05 -41.51 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.4 m -54.91 -40.84 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 83' ' ' PRO . 18.8 mt-10 -67.68 -60.4 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.599 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 4.9 mtm105 -55.29 -42.48 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -57.4 -50.38 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.95 63.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.495 HG21 ' HB ' ' A' ' 43' ' ' VAL . 62.1 mt -48.29 -57.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.4 m-85 -51.45 -47.11 63.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -53.38 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.49 -55.74 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.895 ' HB3' HG13 ' A' ' 39' ' ' VAL . 2.4 mp0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -89.03 153.09 49.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.53 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.07 9.72 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.795 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 tp -44.07 -32.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.7 m-85 -68.6 -61.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -23.19 64.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -71.63 -39.06 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 22' ' ' ILE . 83.2 t -65.98 -62.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -46.14 3.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.25 -40.4 90.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 24.5 tp10 -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.617 HD21 ' CG ' ' A' ' 40' ' ' PHE . 20.4 mt -62.48 -45.89 90.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -68.57 -10.12 53.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -50.89 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -92.49 -1.52 56.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 46.93 50.41 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 36' ' ' SER . 1.4 m -104.12 176.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.602 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -93.24 139.1 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.941 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' A' ' 56' ' ' LEU . 35.9 mt-30 -45.2 -25.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.85 -53.4 6.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.471 HG13 ' CB ' ' A' ' 94' ' ' GLU . 24.2 t -48.45 -47.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.617 ' CG ' HD21 ' A' ' 30' ' ' LEU . 66.5 t80 -64.18 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -46.83 -25.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -79.2 -37.82 37.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.66 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 14.0 m -100.74 7.78 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.2 -56.99 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.65 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.96 25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.2 t30 55.38 65.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.2 mmt-85 -137.24 177.36 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.7 p -97.93 -155.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -102.31 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -84.16 -64.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.583 ' N ' HD13 ' A' ' 51' ' ' LEU . 14.4 tp -43.44 -41.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.53 -32.74 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLU . 97.2 mt -69.37 -47.87 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.405 HD12 ' NE2' ' A' ' 37' ' ' GLN . 17.7 mt -70.98 -15.11 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -59.38 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -77.52 -39.1 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.627 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.0 mt-10 64.23 46.19 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 104.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.42 140.74 2.94 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.51 -34.87 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -113.02 -23.08 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.17 138.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.34 153.15 41.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -44.92 -46.44 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -51.0 34.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 73' ' ' LEU . 2.4 tt -70.6 -55.24 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -43.63 -45.81 7.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -48.28 -41.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.6 m-20 -74.84 -48.26 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 69' ' ' LEU . 58.1 mt -52.29 -52.38 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -54.49 -47.83 72.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.27 -49.63 75.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.5 mtm -53.09 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.678 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -48.76 -32.53 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -70.47 -34.34 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.66 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 79.1 t80 -78.0 -35.68 49.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.65 -15.59 63.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -77.06 -29.23 55.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD13 HD11 ' A' ' 90' ' ' ILE . 12.1 mt -48.47 163.36 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.09 16.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -40.93 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.88 -40.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 9.2 mm-40 -70.21 -58.9 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.66 -41.47 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -72.76 -51.19 20.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.487 HG21 ' HE1' ' A' ' 79' ' ' PHE . 98.8 mt -41.73 -50.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -61.5 -49.6 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.45 -50.03 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -32.68 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.471 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.57 151.88 37.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.11 17.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 10.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 tp -41.78 -35.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.7 m-85 -62.95 -61.28 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.58 -36.29 69.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -57.34 -54.77 43.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 22' ' ' ILE . 68.8 t -49.42 -61.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -42.03 -51.95 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.87 -42.2 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' CD ' ' CD2' ' A' ' 40' ' ' PHE . 3.6 tm-20 -57.29 -48.76 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' SER . 16.8 mt -60.35 -44.55 95.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -10.32 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -52.73 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.68 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.14 -5.96 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.0 t 53.08 42.53 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.609 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -105.58 163.04 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -84.77 139.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.708 ' HB3' HD23 ' A' ' 52' ' ' LEU . 47.0 mt-30 -38.47 -36.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.03 -61.1 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -41.9 -48.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 44' ' ' ALA . 53.0 t80 -67.02 -63.41 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . . . -39.31 -30.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -74.77 -56.2 5.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.682 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.8 m -80.58 4.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.587 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -99.74 -57.72 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.41 24.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 54.67 65.26 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 8.4 mmt180 -136.78 -177.81 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.2 p -101.13 -151.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -104.68 -54.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.81 -41.83 2.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -69.82 -66.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.727 ' N ' HD13 ' A' ' 51' ' ' LEU . 34.7 tp -43.25 -48.89 6.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -49.62 -49.45 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.22 -27.97 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.441 HD11 HD11 ' A' ' 51' ' ' LEU . 94.5 mt -76.17 -21.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -97.48 -14.31 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -92.93 -45.55 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -87.25 -37.21 17.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 30.1 mt-10 58.36 46.24 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.79 105.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.44 136.32 3.21 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -74.96 0.68 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -87.75 -35.01 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.9 p -117.81 -9.44 10.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -44.51 156.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.5 150.37 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -42.45 -48.45 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -43.5 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.665 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.6 tt -77.74 -54.95 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 73' ' ' LEU . 6.9 mt -43.2 -47.23 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -50.3 -42.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.5 m-20 -73.51 -48.99 28.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 62' ' ' PRO . 72.3 mt -46.23 -51.32 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -59.3 -51.75 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.1 mtm -53.03 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.421 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.5 tp60 -54.28 -32.79 57.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.44 -37.46 83.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.682 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 69.1 t80 -75.85 -34.7 60.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.68 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.53 -28.76 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.39 164.5 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -75.0 133.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.35 -40.38 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.56 -40.06 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 7.5 mm-40 -69.57 -59.27 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.618 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.48 -48.54 13.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -46.3 66.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -73.02 -52.54 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.545 HG21 ' HE1' ' A' ' 79' ' ' PHE . 96.7 mt -43.34 -52.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.68 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 22.7 m-85 -58.7 -45.49 89.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.74 -43.12 99.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -46.42 84.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.43 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -90.63 152.18 44.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.96 20.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.15 10.4 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.685 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.9 tp -43.13 -34.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -66.89 -57.07 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -24.22 67.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.87 -42.25 70.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 22' ' ' ILE . 62.2 t -61.07 -55.76 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -46.75 -49.34 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.16 -45.53 94.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' CD ' ' NH1' ' A' ' 87' ' ' ARG . 10.1 tp10 -53.81 -47.56 70.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' SER . 8.0 mt -63.94 -42.23 97.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -69.85 -10.64 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -51.58 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -89.38 -3.11 58.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.6 t 49.53 45.77 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' N ' ' A' ' 36' ' ' SER . 1.7 m -103.82 178.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.662 ' N ' HG23 ' A' ' 35' ' ' VAL . 91.3 p -98.35 156.43 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.589 ' HB3' HD23 ' A' ' 52' ' ' LEU . 21.8 mt-30 -53.94 -35.99 62.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.84 -60.1 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' A' ' 94' ' ' GLU . 40.1 t -43.25 -52.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 44' ' ' ALA . 37.3 t80 -63.75 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.685 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -41.37 -31.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -73.54 -49.57 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.692 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 12.3 m -86.91 8.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.36 -57.39 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.673 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -146.5 20.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 38.5 t-20 58.41 65.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.1 mmt-85 -136.8 -173.13 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 9.5 p -102.96 -143.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HG3' ' CB ' ' A' ' 37' ' ' GLN . 55.1 tt0 -113.71 -52.2 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.87 -32.93 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' O ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -79.87 -58.87 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.685 HD22 ' HB2' ' A' ' 41' ' ' ALA . 22.4 tp -49.11 -47.06 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ARG . 3.1 t -49.85 -53.16 27.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -58.7 -30.16 67.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 75.2 mt -74.03 -19.86 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.52 -15.44 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -87.7 -55.11 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.54 -26.69 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.4 mt-10 53.52 50.97 16.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -48.11 104.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -44.77 138.01 4.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -90.37 -33.37 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.1 p -113.25 -21.18 11.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.6 142.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.34 157.2 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -47.59 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.3 -48.54 46.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD22 HD11 ' A' ' 73' ' ' LEU . 1.5 tt -74.21 -51.81 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -45.46 -47.95 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.85 -39.2 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.8 m-20 -77.72 -50.5 12.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.663 HD23 ' HE1' ' A' ' 76' ' ' MET . 71.6 mt -49.0 -45.99 43.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.92 -44.52 92.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.94 -51.16 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.663 ' HE1' HD23 ' A' ' 73' ' ' LEU . 30.0 mtm -52.44 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.685 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -48.73 -31.6 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.85 -35.22 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 40.8 t80 -76.95 -34.04 57.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 58.7 mt -70.79 -17.83 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -74.13 -28.1 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 12.8 mt -51.49 163.19 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -44.47 -42.52 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.519 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.6 -38.94 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.17 -58.74 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -48.76 -41.31 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.35 -47.99 71.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -45.55 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.42 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 92.0 mt -50.44 -53.95 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -56.06 -42.77 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.72 -56.94 15.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -36.74 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.476 ' CG ' HG13 ' A' ' 39' ' ' VAL . 1.9 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -85.32 151.2 56.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.55 21.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.32 14.41 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 77' ' ' GLN . 2.1 tp -45.91 -33.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 18.1 m-85 -66.09 -53.83 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.14 -36.16 79.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -57.91 -56.47 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' ILE . 71.9 t -48.96 -60.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -41.96 -61.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.8 t70 -52.27 -44.89 65.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.5 tp10 -54.17 -47.18 72.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 40' ' ' PHE . 8.8 mt -65.26 -39.24 92.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.8 -20.21 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -85.5 -48.22 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.99 -5.2 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t 50.03 45.28 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -105.85 173.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.597 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.24 138.12 34.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.776 ' HB3' HD23 ' A' ' 52' ' ' LEU . 34.0 mt-30 -38.82 -36.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -67.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.2 t -40.23 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 21.3 t80 -60.74 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.177 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -42.06 -37.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -67.2 -50.69 59.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 13.1 m -85.17 8.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.56 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.49 25.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.419 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 46.0 t-20 55.73 65.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -140.15 174.31 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -94.21 -170.14 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -90.47 -49.34 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.16 -27.36 1.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -85.75 -67.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 37' ' ' GLN . 23.3 tp -40.29 -36.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -59.64 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.8 pt-20 -53.68 -34.59 59.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.419 HD11 HD21 ' A' ' 51' ' ' LEU . 51.3 mt -67.71 -34.56 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' CD1' ' NE2' ' A' ' 37' ' ' GLN . 13.5 mt -83.77 -15.37 48.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -93.72 -43.35 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.509 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.6 mttm -84.78 -36.28 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.623 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 54.9 mt-10 53.31 67.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.531 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.17 105.46 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.721 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.7 136.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.492 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.06 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -34.25 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -115.4 -14.3 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -42.62 160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -89.31 148.52 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -41.78 -47.27 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -43.83 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -75.03 -52.31 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.5 mt -45.48 -43.56 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.04 -40.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.6 m-20 -77.85 -50.14 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.679 HD21 ' CD2' ' A' ' 69' ' ' LEU . 55.7 mt -51.51 -38.94 56.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -68.92 -43.38 75.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.85 -56.87 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.502 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.4 mtm -44.66 -61.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.57 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -50.81 -32.48 20.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.04 -39.7 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.71 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 53.2 t80 -73.36 -33.15 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.634 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 56.1 mt -72.9 -12.11 60.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -87.71 -23.38 24.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 16.0 mt -51.21 165.0 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.86 15.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.51 -39.27 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.442 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.2 m -59.62 -39.08 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.5 mm-40 -68.97 -60.02 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -46.45 -46.73 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -43.02 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -73.55 -54.39 8.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.5 HG22 HG11 ' A' ' 43' ' ' VAL . 94.3 mt -43.32 -53.18 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 17.5 m-85 -55.57 -46.18 77.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -55.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.414 ' HG2' HG13 ' A' ' 43' ' ' VAL . 2.1 mp0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -83.52 151.18 61.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.01 19.89 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.19 12.7 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.833 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.2 tp -44.64 -30.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 10.8 m-85 -70.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -27.58 62.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.07 -43.97 77.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 22' ' ' ILE . 86.6 t -63.25 -61.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -43.13 -50.35 6.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -34.92 78.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 9.8 tp10 -66.48 -46.3 76.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.586 HD21 ' CG ' ' A' ' 40' ' ' PHE . 27.9 mt -61.04 -47.02 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -65.81 -11.2 44.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -53.28 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.531 ' HB3' HG13 ' A' ' 35' ' ' VAL . . . -85.36 -6.17 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 51.07 45.41 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 36' ' ' SER . 1.4 m -103.52 176.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.621 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -95.2 138.74 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' CB ' HD23 ' A' ' 52' ' ' LEU . 10.2 mt-30 -39.99 -39.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.52 -60.3 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 94' ' ' GLU . 39.8 t -40.62 -52.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CG ' HD21 ' A' ' 30' ' ' LEU . 52.3 t80 -63.14 -63.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -41.25 -37.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -51.12 49.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 40' ' ' PHE . 6.3 m -82.93 6.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.36 -57.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.32 25.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 54.52 65.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.616 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.6 mmt-85 -136.9 175.12 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -94.21 -174.13 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.81 -51.16 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.29 -28.77 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.642 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -80.93 -67.89 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 51' ' ' LEU . 21.0 tp -40.7 -37.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.62 30.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.9 -32.1 52.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' GLU . 78.9 mt -72.62 -42.25 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.07 -12.51 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 -48.61 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -85.46 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.615 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.5 mt-10 63.57 47.49 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.562 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.97 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.643 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.6 m-20 -42.83 136.43 2.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 1.45 7.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.57 -37.19 18.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -114.1 -18.09 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -37.93 141.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.1 m -76.83 146.42 37.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 71' ' ' VAL . 12.9 pt20 -38.1 -44.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.7 p -49.11 -51.09 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.677 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.7 mt -45.24 -40.39 7.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 67' ' ' GLN . 4.3 t -54.25 -40.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.5 m-20 -78.26 -51.28 10.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 69' ' ' LEU . 57.8 mt -47.88 -52.62 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.504 ' NH1' HD22 ' A' ' 70' ' ' LEU . 31.9 mtt85 -56.44 -46.46 80.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -55.48 -55.83 27.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.574 ' HE1' HD23 ' A' ' 73' ' ' LEU . 29.3 mtm -48.19 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -27.3 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.61 -35.02 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 33.0 t80 -76.21 -46.75 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 56.7 mt -62.32 -13.74 31.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -80.86 -22.95 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.46 HD22 ' OE2' ' A' ' 86' ' ' GLU . 24.8 mt -62.98 159.81 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.98 142.32 27.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -42.88 -41.9 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.44 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -54.4 -41.11 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 16.3 mt-10 -67.24 -60.33 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.5 mtm105 -55.51 -44.92 77.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.44 -55.04 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.31 59.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 61.8 mt -44.96 -53.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.8 m-85 -57.64 -47.32 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -59.99 -46.0 90.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -40.01 74.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.476 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -86.83 150.83 51.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.7 21.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.88 13.23 27.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 tp -45.78 -34.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.3 m-85 -62.98 -59.28 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -54.8 -40.87 69.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -52.29 -54.21 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 22' ' ' ILE . 66.6 t -48.63 -65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.51 -52.55 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 8.0 tp10 -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 34' ' ' SER . 19.0 mt -60.43 -46.08 91.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -10.59 50.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -52.44 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.626 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.51 -5.67 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 53.41 43.36 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.46 171.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -94.38 140.62 29.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' CB ' HD23 ' A' ' 52' ' ' LEU . 30.4 mt-30 -38.85 -34.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -66.22 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' HB3' ' A' ' 94' ' ' GLU . 3.9 t -40.16 -48.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.59 ' HA ' HG22 ' A' ' 43' ' ' VAL . 25.2 t80 -66.37 -62.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -77.95 -41.11 37.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.656 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.1 m -96.09 7.94 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.58 -57.07 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -146.61 21.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 59.83 64.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 20.2 mmt-85 -142.8 172.37 12.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.7 p -95.89 -178.58 4.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.3 -53.6 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.92 -30.91 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.1 tm? -83.25 -62.05 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.542 ' N ' HD13 ' A' ' 51' ' ' LEU . 23.0 tp -46.2 -32.66 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -59.57 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.59 -25.99 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.474 HD11 HD11 ' A' ' 51' ' ' LEU . 91.3 mt -77.24 -41.41 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.86 -14.32 60.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -93.62 -45.48 7.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.4 mttm -84.1 -38.45 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.609 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.4 mt-10 54.31 67.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -68.94 105.44 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.682 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.64 139.19 2.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.83 -34.34 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.8 p -113.67 -19.56 11.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -43.1 140.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.56 154.1 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.53 -50.37 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 p -46.86 -51.17 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 73' ' ' LEU . 1.2 tt -69.92 -52.93 20.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.23 -45.19 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.29 -41.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.8 m-20 -74.71 -47.66 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 69' ' ' LEU . 48.7 mt -55.85 -36.46 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -68.79 -44.96 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -61.97 -55.9 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 31.3 mtm -45.27 -59.5 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.584 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -55.36 -33.19 63.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.85 -32.67 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.656 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 58.1 t80 -75.78 -38.48 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -77.56 -31.84 53.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.5 mt -46.97 163.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.96 132.57 15.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.08 7.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.513 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.26 -38.79 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.513 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.55 -58.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.588 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -50.18 -40.35 46.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.05 -49.42 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -70.28 -47.38 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 87' ' ' ARG . 55.8 mt -47.55 -57.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD1' HG11 ' A' ' 35' ' ' VAL . 23.1 m-85 -52.27 -51.29 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -56.33 -52.77 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -46.82 -51.7 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.455 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 152.63 75.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.83 15.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -93.96 11.44 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.745 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.1 tp -40.77 -32.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.3 m-85 -65.83 -61.22 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -56.0 -36.61 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.88 -47.02 83.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 22' ' ' ILE . 78.1 t -55.74 -66.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -43.49 -49.97 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -41.47 84.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 11.1 tp10 -63.96 -45.36 89.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.8 mt -63.33 -44.32 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.51 -11.33 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -52.77 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.652 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.25 -6.75 59.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.2 t 53.34 43.51 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.633 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -107.12 160.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.48 138.69 37.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.944 ' HB3' HD23 ' A' ' 52' ' ' LEU . 61.3 mt-30 -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -65.5 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.955 HG13 ' HG3' ' A' ' 94' ' ' GLU . 11.5 t -41.16 -49.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.761 ' CG ' HD21 ' A' ' 30' ' ' LEU . 30.5 t80 -65.51 -62.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.2 -32.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 40' ' ' PHE . 1.1 tpt85 -71.59 -51.49 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 40' ' ' PHE . 5.9 m -84.52 7.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.513 ' CB ' ' CD1' ' A' ' 45' ' ' PHE . . . -102.33 -57.33 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -149.01 24.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 56.53 64.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.598 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 7.2 mmt-85 -139.35 -177.71 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 p -104.27 -169.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 44.1 tt0 -88.23 -56.07 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.56 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -79.51 -68.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.944 HD23 ' HB3' ' A' ' 37' ' ' GLN . 21.8 tp -39.73 -37.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -61.53 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.5 pt-20 -49.62 -32.14 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLU . 96.8 mt -71.85 -43.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 11.7 mt -75.27 -13.52 60.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -88.83 -49.45 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -83.83 -37.21 22.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.7 mt-10 59.26 46.7 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.517 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.83 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -43.87 139.28 2.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.51 -28.76 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.6 p -116.29 -12.48 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -48.13 172.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -110.2 155.07 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 71' ' ' VAL . 18.6 pt20 -42.07 -43.11 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -55.54 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.674 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -68.46 -54.45 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -43.78 -45.83 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.7 t -50.15 -42.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.6 m-20 -74.91 -50.53 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' A' ' 69' ' ' LEU . 66.7 mt -48.21 -46.98 35.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -65.37 -42.0 93.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.55 -54.36 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.56 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 26.9 mtm -49.94 -63.6 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -44.53 -34.29 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.79 -43.22 93.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.488 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 43.6 t80 -71.79 -36.76 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.95 -15.42 62.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -82.13 -15.75 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 82' ' ' LEU . 23.8 mt -69.85 161.21 76.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.06 141.1 26.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -42.89 -41.45 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.441 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.4 m -55.11 -41.03 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' PRO . 17.1 mt-10 -67.01 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 14.0 mtm105 -55.25 -46.31 76.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -52.41 -51.45 59.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -44.87 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' GLU . 54.7 mt -52.02 -48.22 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -58.53 -47.57 83.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -67.68 -38.7 84.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -31.28 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.955 ' HG3' HG13 ' A' ' 39' ' ' VAL . 6.8 tp10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -86.09 151.16 53.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.47 19.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.09 12.21 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.4 tp -44.87 -33.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.8 m-85 -65.91 -59.81 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -58.19 -33.58 69.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.64 -47.57 85.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 22' ' ' ILE . 65.3 t -55.42 -63.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -45.81 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -34.79 78.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 10.1 tp10 -67.23 -45.11 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' CG ' ' A' ' 40' ' ' PHE . 24.0 mt -63.46 -44.54 94.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -10.61 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -52.41 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.08 -3.08 58.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.4 t 48.7 46.46 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.674 HG23 ' N ' ' A' ' 36' ' ' SER . 1.5 m -103.72 179.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.674 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.57 138.74 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HB3' HD23 ' A' ' 52' ' ' LEU . 31.6 mt-30 -42.12 -27.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -77.96 -56.9 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 94' ' ' GLU . 24.2 t -48.55 -45.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.769 ' CG ' HD21 ' A' ' 30' ' ' LEU . 77.5 t80 -67.04 -63.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -49.64 -22.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 40' ' ' PHE . 3.0 tpt180 -76.64 -34.32 58.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.802 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 12.0 m -102.15 -9.33 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -80.85 -57.5 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.34 30.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 50.98 65.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 13.2 mmt-85 -136.17 175.32 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -98.69 -166.58 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -92.57 -48.22 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.17 -25.68 4.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.1 tm? -89.12 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 41' ' ' ALA . 19.0 tp -44.9 -34.29 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -62.83 -58.02 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.48 -29.81 37.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.457 HD11 HD11 ' A' ' 51' ' ' LEU . 85.8 mt -73.67 -42.74 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.3 -14.25 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -91.09 -46.25 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -84.79 -37.2 21.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 50.6 mt-10 58.49 46.91 14.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.86 104.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -44.2 137.88 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -95.13 -27.32 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -114.29 -16.64 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -47.85 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLN . 6.4 p -116.04 153.26 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 71' ' ' VAL . 26.7 pt20 -38.21 -43.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -56.39 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.695 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.7 tt -69.78 -51.92 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.57 -44.11 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.1 t -50.42 -40.53 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' LEU . 77.1 m-20 -76.29 -46.64 26.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 69' ' ' LEU . 52.3 mt -53.58 -49.93 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -58.04 -46.68 84.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.68 -54.24 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -49.29 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.618 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.45 -33.37 30.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.9 -36.28 75.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 51.9 t80 -78.27 -30.29 48.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 52.2 mt -74.49 -15.56 60.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -83.12 -23.43 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 16.7 mt -52.12 165.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 135.15 18.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -45.78 -42.57 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.19 -35.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -70.99 -59.31 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -50.14 -43.82 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -54.35 -48.96 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -70.44 -47.19 61.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 88.5 mt -49.79 -52.17 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.6 m-85 -57.98 -40.95 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.78 -52.48 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.89 61.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.668 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.22 150.18 37.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.66 21.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.98 10.0 41.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 tp -43.26 -33.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -65.2 -57.67 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -56.94 -30.42 64.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 52' ' ' LEU . 77.4 t -58.08 -62.18 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -44.15 -42.79 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.21 -38.93 72.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.2 tp10 -63.27 -47.85 80.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' SER . 22.5 mt -59.87 -47.11 87.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -10.78 49.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -52.28 4.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.664 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.66 -6.61 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 t 53.67 43.32 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.617 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.29 168.95 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.504 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.8 146.49 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.629 ' O ' HD23 ' A' ' 52' ' ' LEU . 34.4 mt-30 -48.07 -23.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.04 -60.23 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.912 HG13 ' HG3' ' A' ' 94' ' ' GLU . 3.2 t -40.61 -46.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 32.6 t80 -67.18 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -38.31 -31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.8 tpt180 -71.84 -53.45 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.641 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.7 m -83.33 6.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -102.2 -57.45 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -152.86 31.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t30 51.35 65.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 2.3 mmt180 -137.96 -178.35 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.48 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 70.3 p -104.02 -150.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -105.13 -51.96 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.99 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.86 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 51' ' ' LEU . 29.1 tp -41.23 -29.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 51' ' ' LEU . 6.5 t -65.52 -52.64 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.4 pt-20 -58.97 -36.26 74.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 51' ' ' LEU . 69.6 mt -69.37 -15.3 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -105.01 -14.58 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -91.54 -55.87 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -26.46 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.58 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 58.1 mt-10 51.28 52.66 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.82 104.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -43.37 136.06 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.513 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -34.18 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.8 p -113.76 -19.77 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.48 145.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 147.3 38.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 71' ' ' VAL . 5.4 mt-30 -42.14 -45.31 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -44.89 64.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.696 HD22 HD11 ' A' ' 73' ' ' LEU . 2.0 tt -75.12 -55.45 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 62' ' ' PRO . 7.5 mt -44.29 -44.75 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.0 t -48.88 -40.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 73.6 m-20 -76.35 -49.18 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.696 HD11 HD22 ' A' ' 69' ' ' LEU . 60.7 mt -51.22 -51.43 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.82 -44.18 90.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.57 -51.1 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.573 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.0 mtm -53.37 -61.2 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.2 tp60 -48.07 -31.53 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.0 -35.56 74.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.641 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.1 t80 -77.27 -37.26 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD22 ' OE1' ' A' ' 29' ' ' GLU . 65.7 mt -68.55 -14.75 63.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -80.07 -31.89 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 82' ' ' LEU . 12.4 mt -47.59 163.7 0.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 132.44 15.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -42.15 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.516 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.06 -38.54 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.516 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.73 -58.36 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.5 mtm105 -49.21 -47.94 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -50.85 -46.54 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -71.06 -47.76 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 94' ' ' GLU . 61.7 mt -47.81 -54.84 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.664 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 29.5 m-85 -55.61 -42.71 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.33 -49.02 71.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -21.71 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.912 ' HG3' HG13 ' A' ' 39' ' ' VAL . 5.7 tp10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -87.8 154.53 53.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.6 21.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.79 17.34 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.7 tp -51.71 -36.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 30.0 m-85 -60.99 -56.31 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.13 -34.63 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -59.0 -47.88 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' ILE . 95.0 t -56.3 -65.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -41.84 -61.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -51.36 -45.29 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 10.5 tp10 -55.73 -51.23 68.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 40' ' ' PHE . 12.8 mt -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.33 -11.1 49.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -52.96 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.79 -5.81 59.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.0 t 51.66 43.96 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -104.29 169.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -88.14 139.43 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.602 ' HB3' HD23 ' A' ' 52' ' ' LEU . 38.7 mt-30 -40.62 -34.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.23 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 ' HB3' ' A' ' 94' ' ' GLU . 19.7 t -40.86 -49.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' HA ' HG22 ' A' ' 43' ' ' VAL . 29.9 t80 -65.28 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -36.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 40' ' ' PHE . 14.2 m -99.85 7.51 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.55 -57.0 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -145.22 21.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.94 65.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.2 mmt180 -134.88 -173.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.1 p -104.07 -156.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.107 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.15 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.46 -34.61 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -75.12 -64.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 51' ' ' LEU . 24.7 tp -43.34 -48.41 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.72 -49.44 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -27.87 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 51' ' ' LEU . 83.3 mt -76.54 -19.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.474 HD12 ' NE2' ' A' ' 37' ' ' GLN . 18.2 mt -101.72 -16.3 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -60.54 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -78.81 -25.19 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.9 mt-10 49.65 48.66 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -46.56 104.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.614 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.02 139.28 3.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -88.26 -34.84 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -113.14 -21.44 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.67 141.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.62 151.55 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.7 mt-30 -43.9 -44.19 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 p -50.33 -47.18 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD22 HD11 ' A' ' 73' ' ' LEU . 1.9 tt -75.2 -54.39 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.9 -42.78 6.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.1 t -51.41 -42.64 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.1 m-20 -73.59 -46.84 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.765 HD23 ' HE1' ' A' ' 76' ' ' MET . 60.1 mt -53.02 -51.41 61.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -53.68 -48.52 69.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.737 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.56 -51.14 70.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.765 ' HE1' HD23 ' A' ' 73' ' ' LEU . 30.5 mtm -52.09 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.598 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -51.97 -31.78 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.81 -38.51 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.825 ' HE1' HG21 ' A' ' 90' ' ' ILE . 80.6 t80 -75.03 -32.88 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -76.07 -17.84 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -79.67 -18.44 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 ' OE2' ' A' ' 86' ' ' GLU . 14.5 mt -62.38 162.52 18.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 137.63 21.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.86 -46.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -50.45 -42.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.8 mt-10 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 6.8 mtm105 -53.44 -46.69 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.43 -55.21 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -48.75 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.825 HG21 ' HE1' ' A' ' 79' ' ' PHE . 70.3 mt -45.83 -53.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.646 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 20.2 m-85 -56.08 -49.07 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ASP . 2.9 tp-100 -56.89 -61.78 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' GLN . 2.1 t0 -39.67 -52.38 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.458 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 41.7 t . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 153.76 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.69 16.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.31 13.29 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 tp -47.32 -35.25 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.9 m-85 -66.12 -61.27 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -56.2 -29.88 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -64.3 -51.22 64.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 22' ' ' ILE . 87.0 t -54.06 -61.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.54 -58.67 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.33 -30.74 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.51 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.9 tp10 -69.12 -47.28 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD13 ' HG3' ' A' ' 37' ' ' GLN . 25.7 mt -60.98 -41.73 97.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.94 -10.59 59.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -51.26 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -90.73 -5.69 55.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.8 t 53.08 40.8 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.644 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -103.76 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.81 139.77 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.603 ' HG3' HD13 ' A' ' 30' ' ' LEU . 37.6 mt-30 -39.58 -35.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -64.66 -63.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.776 HG13 ' HB3' ' A' ' 94' ' ' GLU . 17.9 t -44.12 -47.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' HA ' HG22 ' A' ' 43' ' ' VAL . 28.6 t80 -67.35 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -47.95 -26.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.47 -35.26 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.621 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 14.9 m -101.23 7.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.35 -57.17 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.608 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -142.49 18.56 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 60.16 64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -136.64 -175.41 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -100.96 -165.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 3.2 tm0? -94.49 -54.79 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.68 -26.18 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.89 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.679 HD22 ' HB2' ' A' ' 41' ' ' ALA . 28.8 tp -43.9 -34.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -62.74 -54.21 42.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.92 -32.11 65.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.444 HD11 HD21 ' A' ' 51' ' ' LEU . 64.4 mt -69.78 -39.13 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.48 -15.9 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -92.17 -42.48 9.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -87.21 -41.19 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 16.3 mt-10 59.57 45.26 13.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -47.67 105.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m-20 -43.49 139.05 2.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 -35.32 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 p -113.66 -19.02 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.355 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.36 144.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -79.21 150.02 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -41.07 -47.09 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -48.43 -45.63 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.768 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -77.49 -53.94 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.73 -43.17 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.55 -42.93 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' LEU . 84.9 m-20 -76.71 -47.71 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 69' ' ' LEU . 61.0 mt -50.57 -46.92 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.433 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 77.8 mtt180 -63.41 -44.79 93.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.45 -52.55 64.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.565 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -48.49 -61.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -50.74 -35.84 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.469 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 1.5 t-20 -67.8 -24.0 65.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.801 ' HE1' HG21 ' A' ' 90' ' ' ILE . 75.0 t80 -93.14 -27.96 16.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 83.6 mt -81.05 -20.2 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.511 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 42.7 p30 -91.95 10.07 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.2 mt -83.75 164.96 42.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.99 135.84 19.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -43.04 -44.33 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.11 -40.44 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -68.81 -59.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -51.53 -47.24 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.86 -60.69 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -49.23 76.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.801 HG21 ' HE1' ' A' ' 79' ' ' PHE . 61.9 mt -45.57 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -50.87 -48.69 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -55.54 -50.96 68.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.33 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.776 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.643 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -100.5 152.34 37.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -101.76 2.97 39.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 19' ' ' SER . 1.3 tp -41.56 -37.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.4 m-85 -65.0 -61.55 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.15 -29.05 65.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -64.59 -57.5 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' ILE . 65.6 t -46.3 -57.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -47.46 -53.57 13.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.55 -35.05 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' HD22 ' A' ' 80' ' ' LEU . 4.5 tp10 -65.97 -47.97 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 40' ' ' PHE . 11.8 mt -60.35 -43.67 96.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -10.67 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -51.69 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.18 -6.07 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 7.0 t 54.15 42.5 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.647 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.9 m -107.45 174.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.632 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -100.04 140.58 34.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.51 ' HG3' HD13 ' A' ' 30' ' ' LEU . 14.4 mt-30 -37.12 -42.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -56.98 -68.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 94' ' ' GLU . 42.7 t -44.78 -58.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CG ' HD21 ' A' ' 30' ' ' LEU . 4.2 t80 -51.3 -44.63 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -66.84 -33.61 75.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.2 tpt85 -64.64 -27.34 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' CE1' ' A' ' 79' ' ' PHE . 8.0 m -102.65 -32.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -61.36 -57.56 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.1 p90 -149.15 36.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 42.36 66.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -133.74 -176.44 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -101.05 -158.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.592 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 2.6 tt0 -101.65 -57.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.04 -29.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -83.18 -67.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.672 ' N ' HD13 ' A' ' 51' ' ' LEU . 31.3 tp -42.44 -37.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -51.34 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 3.1 pt-20 -61.58 -32.56 72.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 mt -69.67 -20.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 mt -98.73 -17.88 18.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -48.87 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -85.22 -20.17 30.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.612 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 41.9 mt-10 42.27 48.63 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.57 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -47.64 104.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 6.2 t0 -44.53 137.05 4.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.435 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -89.8 -35.61 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -113.54 -19.38 11.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.85 136.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.94 154.29 37.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.9 mt-30 -50.19 -37.04 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -42.81 86.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -77.99 -53.22 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 62' ' ' PRO . 6.5 mt -44.62 -46.6 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.0 t -47.63 -40.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 78.8 m-20 -79.26 -50.47 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 69' ' ' LEU . 65.6 mt -48.6 -43.66 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -62.28 -46.21 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.25 -57.09 14.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.508 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.4 mtm -46.06 -63.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.74 -29.35 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.35 -28.88 53.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.704 ' CE1' HG23 ' A' ' 43' ' ' VAL . 66.4 t80 -80.15 -35.22 36.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.503 HD22 ' OE1' ' A' ' 29' ' ' GLU . 62.2 mt -72.64 -15.55 61.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.73 -27.44 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.7 164.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.47 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.97 132.35 15.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -42.31 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.515 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.8 -38.67 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.515 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.5 -58.56 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.7 mtm105 -48.51 -40.19 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -49.17 74.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.61 -42.94 73.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 94.2 mt -53.37 -59.92 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.647 ' CD1' HG11 ' A' ' 35' ' ' VAL . 24.3 m-85 -49.53 -41.41 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -66.34 -53.89 30.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -45.05 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.582 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 151.3 40.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -19.19 17.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -97.0 14.0 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.6 tp -42.66 -32.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.6 m-85 -65.67 -59.71 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -57.03 -35.99 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.41 -52.24 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 22' ' ' ILE . 73.7 t -51.43 -63.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.1 -50.08 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -43.75 97.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 40' ' ' PHE . 4.4 tm-20 -57.67 -44.13 85.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD13 ' HG3' ' A' ' 37' ' ' GLN . 19.8 mt -61.97 -49.67 75.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.76 -11.35 45.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -51.6 6.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -91.46 -2.83 57.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.5 t 51.03 46.2 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.657 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -106.76 176.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.657 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.07 138.75 34.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HG3' HD13 ' A' ' 30' ' ' LEU . 15.8 mt-30 -40.42 -28.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.788 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -72.45 -67.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.784 HG13 ' HB3' ' A' ' 94' ' ' GLU . 40.7 t -41.24 -57.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CD1' ' OE1' ' A' ' 29' ' ' GLU . 27.7 t80 -51.13 -38.97 55.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -70.13 -48.67 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -49.28 -26.24 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.6 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 32.7 m -103.48 -48.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 43' ' ' VAL . . . -47.25 -58.07 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.4 p90 -150.4 43.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' PHE . 5.6 t-20 35.37 66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.81 176.25 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.2 p -95.3 -169.54 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.788 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 15.2 tm0? -92.45 -56.69 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.43 -29.74 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.553 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -81.77 -62.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 37' ' ' GLN . 41.1 tp -47.63 -35.57 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -51.64 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.32 -28.49 69.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -73.45 -22.43 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.96 -19.52 19.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -83.95 -48.58 9.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -83.96 -37.97 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 15.7 mt-10 60.19 49.0 7.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.581 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -47.38 104.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.737 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.2 m-20 -44.63 137.08 4.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.07 1.55 7.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -89.06 -37.44 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.437 HG22 ' HB2' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -114.37 -17.69 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -38.89 147.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.0 153.38 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.11 -45.6 22.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -37.1 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.743 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -84.63 -54.42 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 62' ' ' PRO . 8.6 mt -45.6 -42.57 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.87 -39.61 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 3.2 m-20 -79.17 -51.81 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.743 HD21 ' CD2' ' A' ' 69' ' ' LEU . 69.0 mt -46.02 -39.52 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -68.28 -44.31 75.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -59.26 -55.87 29.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.517 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 29.2 mtm -47.29 -64.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.758 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.7 tp60 -51.44 -38.4 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.5 -38.46 89.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CZ ' ' CG2' ' A' ' 43' ' ' VAL . 88.2 t80 -74.72 -23.17 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.08 -21.57 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -74.89 -17.91 60.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 82' ' ' LEU . 14.0 mt -58.03 164.11 3.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.1 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.45 -37.87 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.1 m -60.77 -39.07 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.4 mm-40 -69.74 -59.17 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.6 mtm105 -44.68 -46.71 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.35 -41.26 75.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.89 -54.54 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.533 HG22 HG11 ' A' ' 43' ' ' VAL . 97.9 mt -43.69 -50.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.64 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 19.6 m-85 -58.48 -44.64 89.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -58.15 -44.87 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -38.1 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.784 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 67.82 168.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 69.14 145.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.5 108.1 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -172.77 130.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -158.98 169.88 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.57 -128.33 1.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.91 95.79 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -169.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -146.45 137.45 12.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 10' ' ' GLU . 18.3 Cg_endo -74.96 166.51 29.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -164.39 99.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.52 166.05 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -152.77 124.79 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m 39.71 79.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.95 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -86.38 169.5 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -132.9 141.12 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -90.83 155.63 45.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.28 14.93 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 16.62 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.2 tp -48.1 -38.67 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 25.7 m-85 -61.92 -60.43 3.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.89 -34.03 58.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -59.63 -56.95 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -52.73 -60.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 56' ' ' LEU . 6.9 mtp180 -44.48 -51.19 9.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.89 -45.83 92.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.3 tp10 -53.26 -48.79 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.1 mt -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -11.06 48.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -85.05 -4.79 59.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 52.13 42.96 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.669 HG23 ' N ' ' A' ' 36' ' ' SER . 1.9 m -103.66 178.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.669 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.77 137.35 41.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HB3' HD23 ' A' ' 52' ' ' LEU . 47.9 mt-30 -39.84 -30.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -67.86 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.772 HG13 ' HB3' ' A' ' 94' ' ' GLU . 42.1 t -45.82 -52.96 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.613 ' HA ' HG22 ' A' ' 43' ' ' VAL . 29.2 t80 -59.1 -65.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.7 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -42.34 -38.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -66.96 -43.45 83.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.613 HG22 ' HA ' ' A' ' 40' ' ' PHE . 8.9 m -91.71 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.67 -57.39 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -148.68 24.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 57.51 65.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -136.29 -175.8 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -107.04 -157.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 13.2 tt0 -97.67 -57.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.54 -28.77 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -84.9 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 41' ' ' ALA . 43.3 tp -46.41 -38.25 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -44.87 89.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 51' ' ' LEU . 75.6 mt -75.52 -20.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 27' ' ' ARG . 10.8 mt -98.33 -13.69 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -93.19 -49.39 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -84.48 -28.67 26.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 mt-10 49.33 48.83 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.8 104.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -44.06 138.09 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.34 9.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -90.96 -30.49 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' ALA . 16.6 p -113.42 -22.59 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.443 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.44 148.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.44 151.43 22.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 71' ' ' VAL . 11.7 pt20 -39.01 -44.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.13 -56.25 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 73' ' ' LEU . 2.3 tt -69.33 -50.56 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.77 -42.25 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.4 t -51.42 -41.05 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.8 -50.47 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 69' ' ' LEU . 68.6 mt -47.68 -52.51 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -55.36 -46.65 76.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.72 -56.82 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.538 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.5 mtm -46.65 -62.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -50.56 -27.06 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -74.45 -30.98 62.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 34.8 t80 -80.85 -38.46 28.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.51 -11.02 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.99 -30.42 24.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 82' ' ' LEU . 13.2 mt -47.68 163.9 0.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.57 16.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -45.1 -39.1 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.2 m -59.73 -39.17 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.7 mm-40 -70.48 -59.07 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -45.69 -43.02 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.71 -45.52 85.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -74.0 -52.51 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.414 HD11 HD13 ' A' ' 82' ' ' LEU . 93.8 mt -42.06 -49.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 18.9 m-85 -61.47 -49.57 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.79 -42.91 76.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -40.39 81.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.772 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -62.72 -57.87 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -50.95 -51.15 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.96 77.95 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.64 97.86 0.28 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.3 t 43.43 74.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.8 p -39.84 145.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.19 144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.976 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.19 134.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.5 -165.68 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.25 171.13 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -169.83 168.98 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.51 94.91 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 157.56 49.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -167.58 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 91.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.418 ' C ' HG23 ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.99 -172.12 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.418 HG23 ' C ' ' A' ' 11' ' ' PRO . 43.7 p -151.0 -177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -179.82 164.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -151.0 103.73 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m 41.89 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.28 173.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -84.39 173.6 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.8 140.54 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -92.11 152.15 42.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.98 8.39 43.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 19' ' ' SER . 1.1 tp -41.01 -38.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.9 m-85 -63.05 -60.9 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -54.93 -32.21 61.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -62.2 -54.36 42.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -53.31 -60.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -44.86 -49.61 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -45.27 89.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.95 -49.39 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.538 HD21 ' CG ' ' A' ' 40' ' ' PHE . 14.8 mt -58.55 -48.73 79.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -10.97 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -90.56 -53.19 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.9 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 t 55.11 39.19 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.646 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m -105.83 163.97 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 35' ' ' VAL . 66.0 p -84.53 161.3 20.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.519 ' HB3' HD23 ' A' ' 52' ' ' LEU . 40.3 mt-30 -59.75 -29.65 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.55 -62.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HB3' ' A' ' 94' ' ' GLU . 38.9 t -43.27 -50.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' HA ' HG22 ' A' ' 43' ' ' VAL . 35.1 t80 -63.03 -64.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.726 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -44.35 -29.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -74.58 -41.62 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.658 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.4 m -95.11 8.02 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.4 24.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 55.14 65.13 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.6 mmt180 -135.35 -179.99 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.5 p -101.13 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -101.0 -48.8 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.42 -27.76 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.67 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -86.53 -68.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 41' ' ' ALA . 43.5 tp -40.06 -35.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -63.69 -57.63 9.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.55 -23.78 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' GLU . 92.5 mt -79.27 -42.64 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.49 -13.2 60.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -90.02 -48.87 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -85.06 -42.14 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 9.5 mt-10 64.94 45.87 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -47.05 104.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.14 139.14 3.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 0.17 9.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.73 -33.28 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . 9.0 p -113.64 -21.15 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.22 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.1 156.26 19.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 71' ' ' VAL . 11.4 mt-30 -48.28 -38.49 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -37.51 71.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.694 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -86.35 -53.69 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 62' ' ' PRO . 10.2 mt -45.41 -42.02 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.6 t -52.57 -39.72 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 82.4 m-20 -80.07 -51.0 9.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 69' ' ' LEU . 57.9 mt -48.84 -48.51 41.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -58.85 -46.43 87.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.16 -56.97 14.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.581 ' HE1' HD23 ' A' ' 73' ' ' LEU . 31.2 mtm -45.63 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -50.5 -28.9 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.14 -29.65 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.658 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 66.5 t80 -81.91 -35.74 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 44.3 mt -72.02 -12.25 61.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -84.96 -28.69 25.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.4 mt -45.66 164.71 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.75 15.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -44.29 -40.24 5.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.64 -39.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.0 mm-40 -69.53 -59.51 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.608 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -46.29 -48.25 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.85 -45.26 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -53.66 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -43.71 -52.37 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.658 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 18.2 m-85 -56.04 -48.62 75.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -56.16 -57.49 11.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -43.12 -53.2 5.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.724 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -48.86 -61.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -49.52 75.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.05 111.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.87 175.54 27.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.1 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.88 15.97 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.5 m -117.54 126.71 53.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -115.38 -58.79 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.943 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.7 169.45 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p 175.84 167.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 115.79 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -170.13 145.91 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.757 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.06 160.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.72 135.59 8.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 113.47 0.36 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.06 38.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.24 148.14 6.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.6 -47.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 175.03 152.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.87 75.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 m 39.85 77.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.69 170.28 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.52 175.35 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.02 140.66 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -93.32 152.91 41.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.7 17.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.08 10.17 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.3 tp -42.73 -38.27 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 29.8 m-85 -60.23 -59.26 5.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.01 -37.98 78.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.1 -53.08 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' GLU . 52.7 t -53.96 -66.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -39.99 -51.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.29 -41.05 98.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' VAL . 16.3 tp10 -60.62 -44.83 95.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.5 mt -63.81 -45.35 90.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.69 -11.11 59.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -50.26 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -91.86 -1.85 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER 47.59 49.08 16.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' N ' ' A' ' 36' ' ' SER . 1.6 m -103.8 178.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.668 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.38 135.76 37.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.706 ' HB3' HD23 ' A' ' 52' ' ' LEU . 49.7 mt-30 -41.94 -29.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.19 -61.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.713 HG13 ' HB3' ' A' ' 94' ' ' GLU . 53.3 t -43.16 -51.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.691 ' CG ' HD21 ' A' ' 30' ' ' LEU . 53.4 t80 -60.74 -64.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -43.25 -34.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -43.59 72.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG11 ' OE1' ' A' ' 94' ' ' GLU . 13.4 m -92.88 8.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.45 -57.42 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.606 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -149.73 26.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 55.35 65.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.1 mmt-85 -135.28 -172.62 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.3 p -107.99 -145.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 51' ' ' LEU . 13.5 tt0 -112.33 -55.63 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.39 -27.85 0.3 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -85.87 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.706 HD23 ' HB3' ' A' ' 37' ' ' GLN . 18.5 tp -41.85 -36.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -59.05 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.2 pt-20 -52.01 -31.13 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 82.1 mt -72.23 -43.6 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.6 -14.01 60.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -90.62 -48.15 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -83.63 -34.59 25.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.615 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 45.0 mt-10 57.17 46.23 19.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.576 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -46.73 104.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 3.1 m-20 -43.81 137.12 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -34.69 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' ALA . 10.7 p -113.25 -21.35 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.13 139.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -71.58 154.36 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.7 mt-30 -46.93 -38.93 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.48 -49.98 68.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.717 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.57 -54.36 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.78 -45.08 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.8 t -48.96 -42.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.0 m-20 -78.16 -50.7 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.717 HD21 ' CD2' ' A' ' 69' ' ' LEU . 62.3 mt -47.23 -52.49 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -58.35 -44.25 88.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.42 -57.21 13.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.556 ' HE1' HD23 ' A' ' 73' ' ' LEU . 28.7 mtm -45.95 -64.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -49.15 -27.75 3.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -72.5 -35.12 68.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 65.9 t80 -77.81 -40.69 39.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.29 -13.1 34.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -81.76 -28.84 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 82' ' ' LEU . 14.0 mt -48.65 162.53 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.17 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.38 -40.14 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -58.59 -39.35 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.4 mm-40 -71.28 -58.55 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.45 -42.52 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -43.36 97.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -73.07 -51.58 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 83.0 mt -44.18 -55.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.654 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 22.7 m-85 -54.38 -46.91 73.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -53.85 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 -52.96 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.713 ' HB3' HG13 ' A' ' 39' ' ' VAL . 2.0 mp0 -52.5 -61.29 2.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -53.69 -51.57 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -137.08 136.1 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.2 -150.16 10.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 90.48 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -107.66 -59.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.85 131.21 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.059 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -172.51 -60.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.41 166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.09 -145.72 12.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m 61.81 86.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p 179.29 127.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.02 102.86 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.88 104.84 55.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -140.22 150.3 61.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.45 5.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -92.62 139.2 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.82 167.69 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.67 -166.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.97 15.15 10.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t 62.28 138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.97 -177.63 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.62 HG21 ' HG3' ' A' ' 74' ' ' ARG . 46.6 t -136.3 124.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -79.72 150.75 73.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -14.57 21.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -102.24 12.16 37.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.796 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 tp -44.25 -27.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.1 m-85 -69.98 -58.87 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.96 -32.56 66.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.78 -43.07 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.25 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 22' ' ' ILE . 90.4 t -63.65 -62.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HG3' HD22 ' A' ' 56' ' ' LEU . 1.1 mtt180 -45.69 -45.63 14.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -69.35 -31.01 69.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 6.8 tp10 -70.16 -46.16 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.711 HD21 ' CG ' ' A' ' 40' ' ' PHE . 23.0 mt -63.29 -45.97 88.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -11.07 45.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -89.28 -53.55 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -86.1 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t 51.42 44.59 28.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.579 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.8 m -104.06 167.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.481 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.58 138.85 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' CB ' HD23 ' A' ' 52' ' ' LEU . 36.5 mt-30 -42.96 -28.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -76.17 -56.81 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG13 ' CB ' ' A' ' 94' ' ' GLU . 22.3 t -45.67 -48.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.711 ' CG ' HD21 ' A' ' 30' ' ' LEU . 77.9 t80 -65.72 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.32 -33.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' NH1' ' ND2' ' A' ' 46' ' ' ASN . 2.2 tpt180 -70.97 -51.4 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 40' ' ' PHE . 6.1 m -84.92 7.64 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.72 -57.43 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.55 25.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' ND2' ' NH1' ' A' ' 42' ' ' ARG . 23.8 t-20 56.55 64.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -134.66 -175.23 3.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.1 p -101.15 -166.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -97.28 -39.9 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.2 -25.57 62.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -82.45 -60.26 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.62 HD11 HG11 ' A' ' 26' ' ' VAL . 33.2 tp -46.56 -39.62 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -44.67 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.47 HD11 HD11 ' A' ' 51' ' ' LEU . 84.4 mt -77.15 -24.44 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 27' ' ' ARG . 13.1 mt -91.21 -13.98 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -92.98 -46.25 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -85.62 -42.8 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.599 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.2 mt-10 62.87 45.43 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' CB ' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -46.85 104.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.695 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -42.74 137.78 2.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.07 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -89.34 -35.57 16.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -113.9 -20.67 10.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.65 140.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -69.19 145.6 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -41.15 -41.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -45.29 69.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.71 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -75.56 -54.58 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 62' ' ' PRO . 6.9 mt -43.26 -45.57 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -48.91 -43.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.7 m-20 -76.82 -50.73 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.71 HD21 ' CD2' ' A' ' 69' ' ' LEU . 66.8 mt -47.65 -47.38 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.62 ' HG3' HG21 ' A' ' 18' ' ' VAL . 34.4 mtt180 -65.13 -43.38 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.32 -55.52 32.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.556 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.3 mtm -47.9 -61.6 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -48.93 -28.94 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.72 -34.71 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.5 t80 -76.64 -41.42 45.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.93 -11.1 44.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -84.59 -13.63 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' OE2' ' A' ' 86' ' ' GLU . 21.9 mt -72.7 158.19 87.69 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.96 142.82 28.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -42.77 -42.82 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -53.42 -41.49 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' OE2' HD22 ' A' ' 82' ' ' LEU . 14.8 mt-10 -66.85 -60.06 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.6 mtm105 -54.59 -43.78 72.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.61 -56.5 14.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -67.75 -48.88 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 68.0 mt -45.06 -54.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.602 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 20.1 m-85 -56.35 -47.44 78.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.43 -55.48 33.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -40.16 22.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.496 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.42 -68.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -51.2 65.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -54.67 97.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 129.44 -175.37 18.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.98 10.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 p -179.22 148.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 m -166.98 145.61 5.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -140.51 152.56 45.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.72 169.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.28 -140.11 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 66.48 143.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.01 158.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.91 172.27 45.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -149.92 138.68 12.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -172.18 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -123.16 150.26 59.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.38 10.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.23 125.24 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -136.94 144.59 43.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.04 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.958 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.29 77.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.78 172.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -86.59 172.64 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.57 136.23 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -88.83 154.8 50.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.68 14.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.02 11.4 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.732 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.5 tp -44.16 -34.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 19.5 m-85 -67.18 -58.15 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -60.77 -27.44 67.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -67.1 -48.87 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 22' ' ' ILE . 95.4 t -55.66 -58.17 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -46.84 -43.48 18.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -67.32 -38.78 85.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tp10 -62.12 -46.76 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.49 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.4 mt -63.37 -41.5 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.68 -10.88 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -51.06 5.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -88.59 -5.01 58.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 51.39 44.82 28.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -107.06 171.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.562 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -93.91 139.98 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.539 ' HB3' HD23 ' A' ' 52' ' ' LEU . 57.6 mt-30 -38.96 -38.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -62.43 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.542 HG13 ' CB ' ' A' ' 94' ' ' GLU . 37.2 t -40.07 -51.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' HA ' HG22 ' A' ' 43' ' ' VAL . 19.5 t80 -63.02 -59.55 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -48.58 -26.59 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.45 -35.16 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.692 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.5 m -102.27 7.67 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.21 -57.04 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.18 27.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 53.89 65.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.1 mmt180 -138.99 173.63 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.4 p -95.2 -163.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.1 tt0 -92.58 -58.19 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . . . -37.68 -33.84 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -79.01 -68.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' ' 51' ' ' LEU . 40.7 tp -41.93 -38.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -52.26 66.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.0 pt-20 -59.91 -32.21 70.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.441 HD11 HD11 ' A' ' 51' ' ' LEU . 98.3 mt -70.2 -23.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.42 -19.02 20.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -87.14 -45.93 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.3 -37.2 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 49.0 mt-10 57.66 45.33 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.82 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.85 138.85 3.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.424 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.99 -1.95 11.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.84 -31.1 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -113.42 -24.12 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.42 154.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.41 155.37 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.4 mt-30 -47.82 -40.51 21.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -44.65 74.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.639 HD22 HD11 ' A' ' 73' ' ' LEU . 1.5 tt -76.22 -56.61 4.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.8 mt -43.96 -40.95 5.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.7 t -52.42 -43.47 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' LEU . 75.9 m-20 -74.28 -49.27 23.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.649 HD23 ' HE1' ' A' ' 76' ' ' MET . 67.4 mt -47.55 -54.36 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -50.02 -49.72 49.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -56.12 -55.13 36.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.649 ' HE1' HD23 ' A' ' 73' ' ' LEU . 29.7 mtm -47.5 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.582 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -51.44 -33.66 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.41 -34.55 70.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.7 t80 -76.47 -34.54 58.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 37.5 mt -70.19 -12.49 61.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.83 -26.55 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.47 163.45 0.37 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.96 133.61 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -45.16 -39.35 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.446 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.1 m -59.61 -38.83 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.5 mm-40 -70.65 -59.03 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.97 -43.92 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -43.73 85.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -52.56 11.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.432 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mt -42.4 -51.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.616 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 18.9 m-85 -59.76 -47.06 87.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -56.54 -46.0 80.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -36.93 79.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.542 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.55 -66.48 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.79 -51.84 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.89 146.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.59 -175.47 18.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -53.19 131.75 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.22 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.57 100.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.83 149.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.48 -134.59 7.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.32 107.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.06 148.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 80.31 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -97.45 113.38 63.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 177.24 8.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -162.23 128.74 2.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 148.4 35.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 12' ' ' THR . 6.3 t -170.64 69.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -113.75 168.46 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 t -175.95 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.5 p -145.88 83.86 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.73 179.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.76 176.34 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.27 137.83 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.526 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -89.98 154.02 47.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.39 18.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.95 10.22 41.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.0 tp -44.64 -33.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 24.6 m-85 -65.7 -55.25 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.14 -34.6 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.89 -44.14 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 22' ' ' ILE . 74.0 t -60.09 -62.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -53.06 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -39.82 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 7.7 tp10 -60.75 -45.29 94.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 37' ' ' GLN . 22.1 mt -61.01 -47.49 86.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -10.59 45.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.92 -53.11 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.653 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.1 -5.4 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.1 t 54.32 41.41 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -106.9 164.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -87.8 139.73 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.664 ' HB3' HD23 ' A' ' 52' ' ' LEU . 29.9 mt-30 -38.79 -34.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.38 -66.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.799 HG13 ' HB3' ' A' ' 94' ' ' GLU . 4.8 t -40.8 -47.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.622 ' HA ' HG22 ' A' ' 43' ' ' VAL . 18.3 t80 -64.18 -60.18 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -45.29 -28.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -75.57 -39.66 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.625 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.4 m -96.72 6.89 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.71 -57.17 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.644 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -151.15 29.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 53.12 64.96 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 6.4 mmt180 -136.29 -175.22 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 68.2 p -104.29 -154.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -101.98 -59.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.01 -29.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -81.15 -66.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.675 ' N ' HD13 ' A' ' 51' ' ' LEU . 26.1 tp -43.98 -42.66 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.6 72.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' LEU . 1.4 pt-20 -67.85 -29.51 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 51' ' ' LEU . 76.8 mt -73.86 -18.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.0 -17.0 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -89.52 -50.11 6.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -83.88 -32.0 25.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.0 mt-10 53.27 47.36 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.507 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.77 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 m-20 -44.08 136.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.505 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.1 Cg_endo -74.98 -0.4 9.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -32.17 15.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -114.88 -15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -43.29 162.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.3 mt-30 -46.19 -42.53 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -38.86 68.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.53 -53.47 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.21 -43.4 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.9 t -52.55 -40.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.3 m-20 -77.78 -49.74 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.688 HD21 ' CD2' ' A' ' 69' ' ' LEU . 72.3 mt -46.34 -53.77 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -56.86 -45.96 82.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.56 -48.68 80.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.575 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.6 mtm -55.42 -65.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.585 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.52 -29.88 11.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -70.34 -37.36 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.625 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 49.4 t80 -76.79 -37.33 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 40' ' ' PHE . 51.0 mt -71.26 -13.47 61.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -83.83 -24.21 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 82' ' ' LEU . 16.7 mt -56.98 161.57 4.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.94 140.12 25.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -53.53 -41.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 15.5 mt-10 -67.16 -60.67 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -54.13 -45.12 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.23 -55.11 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -67.68 -46.78 71.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 67.6 mt -47.71 -57.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.653 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 21.7 m-85 -52.54 -47.07 66.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.74 -42.16 92.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.55 98.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.799 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -59.15 -57.99 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 33' ' ' ALA . 15.0 mtt180 -46.06 -50.94 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.68 93.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.79 -160.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 153.39 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.06 161.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.18 150.52 38.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.89 140.38 24.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -152.96 163.71 39.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.55 127.93 3.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -173.9 124.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.31 157.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.12 -162.63 30.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 152.11 96.43 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 101.46 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' CD ' HG21 ' A' ' 12' ' ' THR . 8.0 pt-20 -174.11 153.42 2.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 76.39 3.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.408 HG21 ' CD ' ' A' ' 10' ' ' GLU . 37.1 p -144.69 -148.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.71 -64.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.69 63.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.7 m 42.49 70.7 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 167.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 4.8 tt0 -94.04 143.49 26.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 40.8 t -108.48 134.29 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -83.88 149.96 57.76 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.56 21.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.91 10.87 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.866 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 tp -42.93 -31.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 17.3 m-85 -67.28 -60.42 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.15 -35.93 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -59.33 -45.16 92.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 22' ' ' ILE . 57.7 t -57.87 -64.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -47.06 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -38.49 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' NH1' ' A' ' 87' ' ' ARG . 14.3 tp10 -66.52 -46.58 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 40' ' ' PHE . 22.5 mt -62.37 -45.29 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -10.55 52.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -89.97 -53.2 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.551 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.45 -2.98 58.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.6 t 47.86 47.37 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.672 HG23 ' N ' ' A' ' 36' ' ' SER . 1.5 m -103.72 179.03 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.672 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -97.26 135.96 38.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.809 ' HB3' HD23 ' A' ' 52' ' ' LEU . 53.2 mt-30 -40.64 -33.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.43 -64.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.895 HG13 ' HB3' ' A' ' 94' ' ' GLU . 66.4 t -41.47 -53.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.618 ' CG ' HD21 ' A' ' 30' ' ' LEU . 17.6 t80 -59.5 -56.53 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -52.21 -28.81 19.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -75.78 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.586 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 6.2 m -101.98 7.65 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.79 -57.16 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -147.86 25.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.38 64.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.4 mmt180 -140.03 176.56 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.1 p -99.04 -176.0 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.78 -45.64 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.64 -31.96 10.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.41 -62.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 37' ' ' GLN . 17.0 tp -46.52 -31.73 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -64.71 -50.86 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.11 -26.01 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 51' ' ' LEU . 71.0 mt -78.25 -42.12 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 13.3 mt -74.95 -12.85 60.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -90.83 -49.0 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -84.92 -42.6 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.7 mt-10 64.8 45.61 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.55 105.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -42.71 138.99 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.69 8.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -89.95 -31.13 17.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ALA . 69.8 p -114.13 -23.97 9.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.93 140.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.53 155.05 40.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -46.05 -48.5 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -52.43 16.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.617 HD22 HD11 ' A' ' 73' ' ' LEU . 1.7 tt -69.84 -51.08 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -45.25 -45.12 11.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.68 -38.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.7 m-20 -77.0 -51.71 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 69' ' ' LEU . 57.5 mt -51.17 -46.28 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 44.6 mtt180 -63.97 -41.53 97.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.71 -57.83 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.567 ' HE3' ' HA ' ' A' ' 73' ' ' LEU . 29.8 mtm -44.63 -57.99 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.453 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -54.17 -28.95 43.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.04 -36.27 61.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 36.4 t80 -76.23 -37.67 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.475 HD21 ' HE2' ' A' ' 40' ' ' PHE . 42.6 mt -70.32 -11.81 61.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -83.87 -17.6 40.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.433 HD22 ' CD ' ' A' ' 86' ' ' GLU . 20.2 mt -64.31 161.18 43.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.99 141.26 26.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -43.05 -41.51 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.4 m -54.91 -40.84 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 83' ' ' PRO . 18.8 mt-10 -67.68 -60.4 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.599 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 4.9 mtm105 -55.29 -42.48 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -57.4 -50.38 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.95 63.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.495 HG21 ' HB ' ' A' ' 43' ' ' VAL . 62.1 mt -48.29 -57.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.4 m-85 -51.45 -47.11 63.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -53.38 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.49 -55.74 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.895 ' HB3' HG13 ' A' ' 39' ' ' VAL . 2.4 mp0 -50.58 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.27 -49.82 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 62.36 75.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -160.04 167.65 35.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -158.18 126.15 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.1 p -75.48 145.33 41.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.107 . . . . 0.0 111.041 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -176.99 146.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.751 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.88 160.08 41.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 172.63 45.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.9 154.5 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.017 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -70.39 162.08 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.33 150.07 6.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 168.38 25.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 156.77 42.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.34 167.73 9.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 60.86 5.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.788 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -145.13 168.45 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.91 -52.55 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.55 -57.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.4 117.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -150.21 140.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.15 173.14 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -137.54 135.2 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -89.03 153.09 49.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.53 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.07 9.72 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.795 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 tp -44.07 -32.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 14.7 m-85 -68.6 -61.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -23.19 64.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -71.63 -39.06 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 22' ' ' ILE . 83.2 t -65.98 -62.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -46.14 3.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.25 -40.4 90.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 24.5 tp10 -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.617 HD21 ' CG ' ' A' ' 40' ' ' PHE . 20.4 mt -62.48 -45.89 90.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -68.57 -10.12 53.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -50.89 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -92.49 -1.52 56.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t 46.93 50.41 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 36' ' ' SER . 1.4 m -104.12 176.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.602 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -93.24 139.1 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.941 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' A' ' 56' ' ' LEU . 35.9 mt-30 -45.2 -25.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.85 -53.4 6.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.471 HG13 ' CB ' ' A' ' 94' ' ' GLU . 24.2 t -48.45 -47.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.617 ' CG ' HD21 ' A' ' 30' ' ' LEU . 66.5 t80 -64.18 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -46.83 -25.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -79.2 -37.82 37.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.66 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 14.0 m -100.74 7.78 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.2 -56.99 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.65 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.96 25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.2 t30 55.38 65.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 11.2 mmt-85 -137.24 177.36 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.7 p -97.93 -155.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -102.31 -52.97 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -84.16 -64.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.583 ' N ' HD13 ' A' ' 51' ' ' LEU . 14.4 tp -43.44 -41.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.53 -32.74 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLU . 97.2 mt -69.37 -47.87 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.405 HD12 ' NE2' ' A' ' 37' ' ' GLN . 17.7 mt -70.98 -15.11 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -59.38 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -77.52 -39.1 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.627 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.0 mt-10 64.23 46.19 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 104.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.42 140.74 2.94 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.51 -34.87 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -113.02 -23.08 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.17 138.59 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.34 153.15 41.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -44.92 -46.44 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -51.0 34.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 73' ' ' LEU . 2.4 tt -70.6 -55.24 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -43.63 -45.81 7.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -48.28 -41.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.6 m-20 -74.84 -48.26 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 69' ' ' LEU . 58.1 mt -52.29 -52.38 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -54.49 -47.83 72.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.27 -49.63 75.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.5 mtm -53.09 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.678 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -48.76 -32.53 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -70.47 -34.34 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.66 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 79.1 t80 -78.0 -35.68 49.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.65 -15.59 63.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -77.06 -29.23 55.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD13 HD11 ' A' ' 90' ' ' ILE . 12.1 mt -48.47 163.36 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 133.09 16.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -40.93 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.88 -40.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 9.2 mm-40 -70.21 -58.9 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -45.66 -41.47 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -72.76 -51.19 20.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.487 HG21 ' HE1' ' A' ' 79' ' ' PHE . 98.8 mt -41.73 -50.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -61.5 -49.6 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.45 -50.03 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -32.68 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.471 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -62.79 -64.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -52.01 60.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.98 83.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.45 -178.19 47.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 118.29 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.77 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -171.63 140.21 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.02 86.5 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.44 138.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 t -171.12 168.2 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.89 -163.56 25.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.91 106.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 179.9 140.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.43 126.43 2.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.25 93.99 2.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.73 38.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.5 162.79 18.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.78 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 t -135.8 54.23 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 62.53 160.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.27 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m 39.55 82.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.56 172.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.92 173.44 9.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -138.95 146.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.57 151.88 37.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.11 17.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 10.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 tp -41.78 -35.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.7 m-85 -62.95 -61.28 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.58 -36.29 69.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -57.34 -54.77 43.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 22' ' ' ILE . 68.8 t -49.42 -61.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -42.03 -51.95 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.87 -42.2 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' CD ' ' CD2' ' A' ' 40' ' ' PHE . 3.6 tm-20 -57.29 -48.76 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' SER . 16.8 mt -60.35 -44.55 95.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -10.32 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -52.73 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.68 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.14 -5.96 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.0 t 53.08 42.53 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.609 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -105.58 163.04 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -84.77 139.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.708 ' HB3' HD23 ' A' ' 52' ' ' LEU . 47.0 mt-30 -38.47 -36.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.03 -61.1 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -41.9 -48.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 44' ' ' ALA . 53.0 t80 -67.02 -63.41 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 45' ' ' PHE . . . -39.31 -30.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -74.77 -56.2 5.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.682 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.8 m -80.58 4.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.587 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -99.74 -57.72 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.41 24.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 54.67 65.26 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 8.4 mmt180 -136.78 -177.81 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.2 p -101.13 -151.63 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -104.68 -54.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.81 -41.83 2.64 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -69.82 -66.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.727 ' N ' HD13 ' A' ' 51' ' ' LEU . 34.7 tp -43.25 -48.89 6.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -49.62 -49.45 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.22 -27.97 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.441 HD11 HD11 ' A' ' 51' ' ' LEU . 94.5 mt -76.17 -21.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -97.48 -14.31 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -92.93 -45.55 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -87.25 -37.21 17.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 30.1 mt-10 58.36 46.24 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.79 105.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.44 136.32 3.21 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -74.96 0.68 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -87.75 -35.01 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.9 p -117.81 -9.44 10.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -44.51 156.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.5 150.37 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -42.45 -48.45 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -43.5 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.665 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.6 tt -77.74 -54.95 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 73' ' ' LEU . 6.9 mt -43.2 -47.23 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -50.3 -42.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.5 m-20 -73.51 -48.99 28.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 62' ' ' PRO . 72.3 mt -46.23 -51.32 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -59.3 -51.75 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.1 mtm -53.03 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.421 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.5 tp60 -54.28 -32.79 57.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.44 -37.46 83.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.682 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 69.1 t80 -75.85 -34.7 60.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.68 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.53 -28.76 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.39 164.5 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -75.0 133.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.35 -40.38 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 m -58.56 -40.06 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' PRO . 7.5 mm-40 -69.57 -59.27 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.618 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.3 OUTLIER -45.48 -48.54 13.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -46.3 66.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -73.02 -52.54 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.545 HG21 ' HE1' ' A' ' 79' ' ' PHE . 96.7 mt -43.34 -52.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.68 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 22.7 m-85 -58.7 -45.49 89.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.74 -43.12 99.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -46.42 84.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -67.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -61.2 -50.57 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.13 82.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.07 152.58 18.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.74 174.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -135.33 84.21 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -152.2 147.48 26.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -162.84 158.55 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.86 167.79 0.29 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.88 168.08 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.55 135.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.73 58.11 0.6 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.02 119.11 29.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -162.22 146.05 9.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -166.05 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 13' ' ' ASN . 1.1 m -121.06 -61.18 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.415 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' CG ' HG22 ' A' ' 12' ' ' THR . 19.6 p30 175.71 170.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 m -169.26 177.04 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.7 m -42.06 116.77 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -94.32 140.66 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.02 -178.54 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -138.88 137.43 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.43 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -90.63 152.18 44.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.96 20.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.15 10.4 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.685 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.9 tp -43.13 -34.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -66.89 -57.07 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -24.22 67.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.87 -42.25 70.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 22' ' ' ILE . 62.2 t -61.07 -55.76 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -46.75 -49.34 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.16 -45.53 94.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' CD ' ' NH1' ' A' ' 87' ' ' ARG . 10.1 tp10 -53.81 -47.56 70.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' SER . 8.0 mt -63.94 -42.23 97.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -69.85 -10.64 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -51.58 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -89.38 -3.11 58.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.6 t 49.53 45.77 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' N ' ' A' ' 36' ' ' SER . 1.7 m -103.82 178.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.662 ' N ' HG23 ' A' ' 35' ' ' VAL . 91.3 p -98.35 156.43 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.589 ' HB3' HD23 ' A' ' 52' ' ' LEU . 21.8 mt-30 -53.94 -35.99 62.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.84 -60.1 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' A' ' 94' ' ' GLU . 40.1 t -43.25 -52.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 44' ' ' ALA . 37.3 t80 -63.75 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.685 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -41.37 -31.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -73.54 -49.57 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.692 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 12.3 m -86.91 8.01 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.36 -57.39 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.673 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -146.5 20.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 38.5 t-20 58.41 65.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.1 mmt-85 -136.8 -173.13 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 9.5 p -102.96 -143.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HG3' ' CB ' ' A' ' 37' ' ' GLN . 55.1 tt0 -113.71 -52.2 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.87 -32.93 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' O ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -79.87 -58.87 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.685 HD22 ' HB2' ' A' ' 41' ' ' ALA . 22.4 tp -49.11 -47.06 45.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ARG . 3.1 t -49.85 -53.16 27.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -58.7 -30.16 67.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 75.2 mt -74.03 -19.86 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.52 -15.44 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -87.7 -55.11 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.54 -26.69 29.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.4 mt-10 53.52 50.97 16.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -48.11 104.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -44.77 138.01 4.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -90.37 -33.37 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.1 p -113.25 -21.18 11.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.6 142.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.34 157.2 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -47.59 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.3 -48.54 46.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD22 HD11 ' A' ' 73' ' ' LEU . 1.5 tt -74.21 -51.81 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -45.46 -47.95 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.85 -39.2 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' LEU . 9.8 m-20 -77.72 -50.5 12.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.663 HD23 ' HE1' ' A' ' 76' ' ' MET . 71.6 mt -49.0 -45.99 43.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.92 -44.52 92.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.94 -51.16 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.663 ' HE1' HD23 ' A' ' 73' ' ' LEU . 30.0 mtm -52.44 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.685 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -48.73 -31.6 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.85 -35.22 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 40.8 t80 -76.95 -34.04 57.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 58.7 mt -70.79 -17.83 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -74.13 -28.1 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 12.8 mt -51.49 163.19 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -44.47 -42.52 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.519 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.6 -38.94 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.17 -58.74 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -48.76 -41.31 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.35 -47.99 71.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -45.55 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.42 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 92.0 mt -50.44 -53.95 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 21.5 m-85 -56.06 -42.77 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.72 -56.94 15.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -36.74 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.476 ' CG ' HG13 ' A' ' 39' ' ' VAL . 1.9 tm-20 -50.13 -63.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -49.28 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.4 128.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.4 -150.23 21.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.4 p -72.24 139.59 48.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -108.08 114.15 27.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 177.38 142.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.74 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -166.31 164.26 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.48 164.19 18.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p 175.95 165.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.973 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -177.01 171.84 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 151.74 16.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.485 1.115 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -101.77 150.16 37.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -161.22 111.97 1.25 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.59 2.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 t -168.13 159.55 11.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 167.5 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.11 -54.28 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.6 p -116.07 83.07 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.41 175.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -88.3 172.8 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -135.22 141.84 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -85.32 151.2 56.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.55 21.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.32 14.41 31.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 77' ' ' GLN . 2.1 tp -45.91 -33.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 18.1 m-85 -66.09 -53.83 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.14 -36.16 79.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -57.91 -56.47 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' ILE . 71.9 t -48.96 -60.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -41.96 -61.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.8 t70 -52.27 -44.89 65.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' CZ ' ' A' ' 87' ' ' ARG . 4.5 tp10 -54.17 -47.18 72.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 40' ' ' PHE . 8.8 mt -65.26 -39.24 92.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.8 -20.21 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -85.5 -48.22 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.99 -5.2 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t 50.03 45.28 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -105.85 173.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.597 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.24 138.12 34.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.776 ' HB3' HD23 ' A' ' 52' ' ' LEU . 34.0 mt-30 -38.82 -36.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.39 -67.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.2 t -40.23 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 21.3 t80 -60.74 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.177 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -42.06 -37.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' NH1' ' OD1' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -67.2 -50.69 59.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 13.1 m -85.17 8.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.56 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -149.49 25.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' OD1' ' NH1' ' A' ' 42' ' ' ARG . 46.0 t-20 55.73 65.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -140.15 174.31 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -94.21 -170.14 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -90.47 -49.34 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.16 -27.36 1.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -85.75 -67.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 37' ' ' GLN . 23.3 tp -40.29 -36.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -59.64 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.8 pt-20 -53.68 -34.59 59.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.419 HD11 HD21 ' A' ' 51' ' ' LEU . 51.3 mt -67.71 -34.56 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' CD1' ' NE2' ' A' ' 37' ' ' GLN . 13.5 mt -83.77 -15.37 48.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -93.72 -43.35 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.509 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.6 mttm -84.78 -36.28 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.623 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 54.9 mt-10 53.31 67.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.531 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.17 105.46 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.721 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 2.6 m-20 -43.7 136.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.06 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -34.25 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -115.4 -14.3 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -42.62 160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -89.31 148.52 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -41.78 -47.27 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -43.83 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -75.03 -52.31 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.5 mt -45.48 -43.56 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.04 -40.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.6 m-20 -77.85 -50.14 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.679 HD21 ' CD2' ' A' ' 69' ' ' LEU . 55.7 mt -51.51 -38.94 56.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -68.92 -43.38 75.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.85 -56.87 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.502 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 30.4 mtm -44.66 -61.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.57 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -50.81 -32.48 20.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.04 -39.7 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.71 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 53.2 t80 -73.36 -33.15 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.634 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 56.1 mt -72.9 -12.11 60.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -87.71 -23.38 24.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 16.0 mt -51.21 165.0 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.0 132.86 15.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.51 -39.27 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.2 m -59.62 -39.08 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.5 mm-40 -68.97 -60.02 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -46.45 -46.73 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -43.02 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -73.55 -54.39 8.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.5 HG22 HG11 ' A' ' 43' ' ' VAL . 94.3 mt -43.32 -53.18 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 17.5 m-85 -55.57 -46.18 77.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -55.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.96 -60.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.414 ' HG2' HG13 ' A' ' 43' ' ' VAL . 2.1 mp0 -44.26 -63.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -49.72 -44.87 48.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.15 74.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.053 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.87 -157.28 7.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.87 170.29 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -102.9 167.4 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.09 121.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.07 143.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.27 134.25 2.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -173.64 170.39 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.807 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.55 152.65 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.81 156.59 11.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.65 116.55 0.39 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -179.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.53 141.93 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -82.12 144.85 30.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.578 ' HB3' HG13 ' A' ' 16' ' ' VAL . 19.7 m-20 -155.5 -54.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -66.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.05 90.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' A' ' 13' ' ' ASN . 27.6 m -72.23 175.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -82.35 169.38 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -134.06 137.98 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -83.52 151.18 61.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.01 19.89 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.19 12.7 36.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.833 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.2 tp -44.64 -30.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 10.8 m-85 -70.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -27.58 62.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.07 -43.97 77.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 22' ' ' ILE . 86.6 t -63.25 -61.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -43.13 -50.35 6.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -34.92 78.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 9.8 tp10 -66.48 -46.3 76.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD21 ' CG ' ' A' ' 40' ' ' PHE . 27.9 mt -61.04 -47.02 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -65.81 -11.2 44.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -53.28 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.531 ' HB3' HG13 ' A' ' 35' ' ' VAL . . . -85.36 -6.17 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 51.07 45.41 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 36' ' ' SER . 1.4 m -103.52 176.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.621 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -95.2 138.74 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' CB ' HD23 ' A' ' 52' ' ' LEU . 10.2 mt-30 -39.99 -39.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.52 -60.3 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 94' ' ' GLU . 39.8 t -40.62 -52.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CG ' HD21 ' A' ' 30' ' ' LEU . 52.3 t80 -63.14 -63.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -41.25 -37.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -51.12 49.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 40' ' ' PHE . 6.3 m -82.93 6.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.36 -57.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -148.32 25.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 54.52 65.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.616 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 18.6 mmt-85 -136.9 175.12 9.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -94.21 -174.13 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.81 -51.16 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.29 -28.77 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.642 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -80.93 -67.89 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 51' ' ' LEU . 21.0 tp -40.7 -37.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.62 30.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.9 -32.1 52.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' GLU . 78.9 mt -72.62 -42.25 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.07 -12.51 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 -48.61 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -85.46 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.615 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.5 mt-10 63.57 47.49 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -46.97 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.643 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.6 m-20 -42.83 136.43 2.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 1.45 7.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.57 -37.19 18.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -114.1 -18.09 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -37.93 141.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.1 m -76.83 146.42 37.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.955 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 71' ' ' VAL . 12.9 pt20 -38.1 -44.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.7 p -49.11 -51.09 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.677 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD21 ' O ' ' A' ' 62' ' ' PRO . 9.7 mt -45.24 -40.39 7.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 67' ' ' GLN . 4.3 t -54.25 -40.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.5 m-20 -78.26 -51.28 10.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 69' ' ' LEU . 57.8 mt -47.88 -52.62 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.504 ' NH1' HD22 ' A' ' 70' ' ' LEU . 31.9 mtt85 -56.44 -46.46 80.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -55.48 -55.83 27.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.574 ' HE1' HD23 ' A' ' 73' ' ' LEU . 29.3 mtm -48.19 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -27.3 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.61 -35.02 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 33.0 t80 -76.21 -46.75 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 56.7 mt -62.32 -13.74 31.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -80.86 -22.95 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.46 HD22 ' OE2' ' A' ' 86' ' ' GLU . 24.8 mt -62.98 159.81 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.98 142.32 27.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -42.88 -41.9 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.44 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.5 m -54.4 -41.11 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . 16.3 mt-10 -67.24 -60.33 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.5 mtm105 -55.51 -44.92 77.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.44 -55.04 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.31 59.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 61.8 mt -44.96 -53.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.8 m-85 -57.64 -47.32 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -59.99 -46.0 90.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.239 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -40.01 74.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.476 ' CB ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -51.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -52.86 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.12 79.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.36 151.53 9.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 115.25 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -165.52 112.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.44 117.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.84 114.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -177.98 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.34 101.45 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -178.88 109.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.3 157.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.87 130.19 3.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.49 113.21 1.68 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.81 95.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.06 5.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 12' ' ' THR . 3.5 t -174.84 70.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.455 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -95.75 166.58 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.17 74.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t 52.85 99.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.1 173.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.88 170.31 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.6 t -135.91 136.52 49.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -86.83 150.83 51.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.7 21.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.88 13.23 27.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 tp -45.78 -34.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.3 m-85 -62.98 -59.28 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -54.8 -40.87 69.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -52.29 -54.21 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 22' ' ' ILE . 66.6 t -48.63 -65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.51 -52.55 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 8.0 tp10 -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 34' ' ' SER . 19.0 mt -60.43 -46.08 91.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -10.59 50.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -52.44 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.626 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.51 -5.67 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.2 t 53.41 43.36 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.46 171.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -94.38 140.62 29.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' CB ' HD23 ' A' ' 52' ' ' LEU . 30.4 mt-30 -38.85 -34.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -66.22 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' HB3' ' A' ' 94' ' ' GLU . 3.9 t -40.16 -48.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.59 ' HA ' HG22 ' A' ' 43' ' ' VAL . 25.2 t80 -66.37 -62.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -77.95 -41.11 37.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.656 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 9.1 m -96.09 7.94 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.58 -57.07 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -146.61 21.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 59.83 64.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 20.2 mmt-85 -142.8 172.37 12.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.7 p -95.89 -178.58 4.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.3 -53.6 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.92 -30.91 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.1 tm? -83.25 -62.05 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.542 ' N ' HD13 ' A' ' 51' ' ' LEU . 23.0 tp -46.2 -32.66 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -59.57 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.59 -25.99 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.474 HD11 HD11 ' A' ' 51' ' ' LEU . 91.3 mt -77.24 -41.41 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.86 -14.32 60.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -93.62 -45.48 7.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 14.4 mttm -84.1 -38.45 20.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.609 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 17.4 mt-10 54.31 67.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -68.94 105.44 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.682 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -43.64 139.19 2.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.36 9.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.83 -34.34 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.8 p -113.67 -19.56 11.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -43.1 140.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.56 154.1 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.53 -50.37 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 p -46.86 -51.17 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 73' ' ' LEU . 1.2 tt -69.92 -52.93 20.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.23 -45.19 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.29 -41.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.8 m-20 -74.71 -47.66 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 69' ' ' LEU . 48.7 mt -55.85 -36.46 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -68.79 -44.96 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -61.97 -55.9 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 31.3 mtm -45.27 -59.5 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.584 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -55.36 -33.19 63.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.85 -32.67 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.656 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 58.1 t80 -75.78 -38.48 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -77.56 -31.84 53.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.5 mt -46.97 163.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.96 132.57 15.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.08 7.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.513 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.26 -38.79 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.513 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.55 -58.29 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.588 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.4 mtm105 -50.18 -40.35 46.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.05 -49.42 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -70.28 -47.38 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 87' ' ' ARG . 55.8 mt -47.55 -57.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD1' HG11 ' A' ' 35' ' ' VAL . 23.1 m-85 -52.27 -51.29 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -56.33 -52.77 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -46.82 -51.7 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.455 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -49.97 -55.21 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.272 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -58.56 -52.69 64.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -46.4 -57.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.91 -109.31 1.4 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.23 6.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.95 153.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.8 m -82.87 133.72 35.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.8 84.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.976 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -57.19 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.37 89.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -172.05 113.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.73 128.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.13 141.25 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.25 93.74 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.83 23.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.03 155.39 9.09 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.42 7.29 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -113.84 -71.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -169.11 176.44 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -167.76 -61.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.43 93.03 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.09 162.42 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 5.0 tt0 -86.6 143.43 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 39.8 t -118.27 134.09 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 152.63 75.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.83 15.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -93.96 11.44 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.745 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.1 tp -40.77 -32.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 26.3 m-85 -65.83 -61.22 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -56.0 -36.61 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.88 -47.02 83.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 22' ' ' ILE . 78.1 t -55.74 -66.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -43.49 -49.97 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -41.47 84.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 11.1 tp10 -63.96 -45.36 89.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 40' ' ' PHE . 18.8 mt -63.33 -44.32 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.51 -11.33 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -52.77 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.652 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.25 -6.75 59.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.2 t 53.34 43.51 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.633 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -107.12 160.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.48 138.69 37.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.944 ' HB3' HD23 ' A' ' 52' ' ' LEU . 61.3 mt-30 -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -65.5 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.955 HG13 ' HG3' ' A' ' 94' ' ' GLU . 11.5 t -41.16 -49.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.761 ' CG ' HD21 ' A' ' 30' ' ' LEU . 30.5 t80 -65.51 -62.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PHE . . . -39.2 -32.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 40' ' ' PHE . 1.1 tpt85 -71.59 -51.49 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 40' ' ' PHE . 5.9 m -84.52 7.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.513 ' CB ' ' CD1' ' A' ' 45' ' ' PHE . . . -102.33 -57.33 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -149.01 24.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 56.53 64.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.598 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 7.2 mmt-85 -139.35 -177.71 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 p -104.27 -169.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 44.1 tt0 -88.23 -56.07 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.56 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -79.51 -68.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.944 HD23 ' HB3' ' A' ' 37' ' ' GLN . 21.8 tp -39.73 -37.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -61.53 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 2.5 pt-20 -49.62 -32.14 12.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLU . 96.8 mt -71.85 -43.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 11.7 mt -75.27 -13.52 60.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -88.83 -49.45 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -83.83 -37.21 22.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 28.7 mt-10 59.26 46.7 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.83 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -43.87 139.28 2.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.51 -28.76 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.6 p -116.29 -12.48 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -48.13 172.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -110.2 155.07 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 71' ' ' VAL . 18.6 pt20 -42.07 -43.11 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -55.54 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.674 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -68.46 -54.45 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -43.78 -45.83 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 67' ' ' GLN . 2.7 t -50.15 -42.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.6 m-20 -74.91 -50.53 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' A' ' 69' ' ' LEU . 66.7 mt -48.21 -46.98 35.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -65.37 -42.0 93.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.55 -54.36 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.56 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 26.9 mtm -49.94 -63.6 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -44.53 -34.29 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.79 -43.22 93.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.488 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 43.6 t80 -71.79 -36.76 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.95 -15.42 62.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -82.13 -15.75 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 82' ' ' LEU . 23.8 mt -69.85 161.21 76.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.06 141.1 26.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -42.89 -41.45 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.4 m -55.11 -41.03 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' PRO . 17.1 mt-10 -67.01 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.59 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 14.0 mtm105 -55.25 -46.31 76.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -52.41 -51.45 59.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -44.87 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' GLU . 54.7 mt -52.02 -48.22 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.652 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -58.53 -47.57 83.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -67.68 -38.7 84.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -31.28 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.955 ' HG3' HG13 ' A' ' 39' ' ' VAL . 6.8 tp10 -81.86 -40.29 22.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -57.04 -39.94 75.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.9 m 51.63 81.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.97 176.04 39.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.5 168.53 5.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.51 160.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.32 162.62 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.3 -65.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.78 128.46 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.22 155.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.956 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.3 130.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.96 88.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.431 1.082 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -108.24 102.32 45.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -174.75 2.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.14 154.53 2.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.64 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -135.65 -65.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.56 170.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p -168.24 113.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.9 147.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.31 139.71 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -179.27 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.82 126.69 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -86.09 151.16 53.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.47 19.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.09 12.21 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.4 tp -44.87 -33.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 22.8 m-85 -65.91 -59.81 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -58.19 -33.58 69.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.64 -47.57 85.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 22' ' ' ILE . 65.3 t -55.42 -63.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -45.81 10.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -34.79 78.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 87' ' ' ARG . 10.1 tp10 -67.23 -45.11 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' CG ' ' A' ' 40' ' ' PHE . 24.0 mt -63.46 -44.54 94.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -10.61 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -52.41 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -88.08 -3.08 58.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.4 t 48.7 46.46 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.674 HG23 ' N ' ' A' ' 36' ' ' SER . 1.5 m -103.72 179.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.674 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.57 138.74 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HB3' HD23 ' A' ' 52' ' ' LEU . 31.6 mt-30 -42.12 -27.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' SER . . . -77.96 -56.9 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 94' ' ' GLU . 24.2 t -48.55 -45.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.769 ' CG ' HD21 ' A' ' 30' ' ' LEU . 77.5 t80 -67.04 -63.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -49.64 -22.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 40' ' ' PHE . 3.0 tpt180 -76.64 -34.32 58.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.802 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 12.0 m -102.15 -9.33 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -80.85 -57.5 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.34 30.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 50.98 65.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 13.2 mmt-85 -136.17 175.32 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -98.69 -166.58 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -92.57 -48.22 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.17 -25.68 4.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 52' ' ' LEU . 1.1 tm? -89.12 -63.94 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 41' ' ' ALA . 19.0 tp -44.9 -34.29 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -62.83 -58.02 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.48 -29.81 37.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.457 HD11 HD11 ' A' ' 51' ' ' LEU . 85.8 mt -73.67 -42.74 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.3 -14.25 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -91.09 -46.25 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -84.79 -37.2 21.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.61 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 50.6 mt-10 58.49 46.91 14.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.86 104.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -44.2 137.88 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -95.13 -27.32 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -114.29 -16.64 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -47.85 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLN . 6.4 p -116.04 153.26 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 71' ' ' VAL . 26.7 pt20 -38.21 -43.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -56.39 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.695 ' CD2' HD21 ' A' ' 73' ' ' LEU . 1.7 tt -69.78 -51.92 29.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.57 -44.11 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.1 t -50.42 -40.53 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' LEU . 77.1 m-20 -76.29 -46.64 26.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 69' ' ' LEU . 52.3 mt -53.58 -49.93 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -58.04 -46.68 84.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.68 -54.24 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -49.29 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.618 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.45 -33.37 30.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.9 -36.28 75.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 51.9 t80 -78.27 -30.29 48.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 52.2 mt -74.49 -15.56 60.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -83.12 -23.43 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 16.7 mt -52.12 165.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -75.01 135.15 18.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -45.78 -42.57 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.19 -35.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -70.99 -59.31 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.1 mtm105 -50.14 -43.82 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -54.35 -48.96 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -70.44 -47.19 61.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 88.5 mt -49.79 -52.17 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 19.6 m-85 -57.98 -40.95 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.78 -52.48 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.89 61.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.668 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -54.56 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -55.55 -50.1 70.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.27 79.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.04 159.74 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 167.33 27.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.2 m 66.07 121.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.99 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.0 t -157.2 -59.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.66 93.87 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -177.3 117.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.65 105.95 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p 175.14 151.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.966 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.65 130.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.97 -179.57 19.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -128.95 144.21 51.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' LYS . 18.4 Cg_endo -74.98 -172.73 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.25 146.79 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.91 41.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.7 p -144.69 129.66 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -141.36 167.47 22.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -158.6 -60.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.7 153.46 19.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.05 145.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -124.09 178.69 5.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.01 134.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.22 150.18 37.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.66 21.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.98 10.0 41.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 tp -43.26 -33.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.3 m-85 -65.2 -57.67 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -56.94 -30.42 64.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 52' ' ' LEU . 77.4 t -58.08 -62.18 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -44.15 -42.79 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.21 -38.93 72.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.2 tp10 -63.27 -47.85 80.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' SER . 22.5 mt -59.87 -47.11 87.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -10.78 49.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -52.28 4.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.664 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.66 -6.61 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 t 53.67 43.32 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.617 HG11 ' CD1' ' A' ' 91' ' ' TYR . 2.0 m -106.29 168.95 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.504 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -86.8 146.49 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.629 ' O ' HD23 ' A' ' 52' ' ' LEU . 34.4 mt-30 -48.07 -23.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.04 -60.23 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.912 HG13 ' HG3' ' A' ' 94' ' ' GLU . 3.2 t -40.61 -46.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 32.6 t80 -67.18 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 48' ' ' THR . . . -38.31 -31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.8 tpt180 -71.84 -53.45 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.641 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 10.7 m -83.33 6.11 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -102.2 -57.45 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -152.86 31.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t30 51.35 65.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 2.3 mmt180 -137.96 -178.35 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.48 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 70.3 p -104.02 -150.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -105.13 -51.96 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.99 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.86 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 51' ' ' LEU . 29.1 tp -41.23 -29.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 51' ' ' LEU . 6.5 t -65.52 -52.64 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.4 pt-20 -58.97 -36.26 74.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 51' ' ' LEU . 69.6 mt -69.37 -15.3 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 mt -105.01 -14.58 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -91.54 -55.87 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -26.46 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.58 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 58.1 mt-10 51.28 52.66 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.82 104.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -43.37 136.06 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.513 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -34.18 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.8 p -113.76 -19.77 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.48 145.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.06 147.3 38.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 71' ' ' VAL . 5.4 mt-30 -42.14 -45.31 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -44.89 64.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.696 HD22 HD11 ' A' ' 73' ' ' LEU . 2.0 tt -75.12 -55.45 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 62' ' ' PRO . 7.5 mt -44.29 -44.75 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.0 t -48.88 -40.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 73.6 m-20 -76.35 -49.18 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.696 HD11 HD22 ' A' ' 69' ' ' LEU . 60.7 mt -51.22 -51.43 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.82 -44.18 90.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.57 -51.1 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.573 ' CG ' ' CD1' ' A' ' 45' ' ' PHE . 29.0 mtm -53.37 -61.2 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.2 tp60 -48.07 -31.53 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.0 -35.56 74.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.641 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 42.1 t80 -77.27 -37.26 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD22 ' OE1' ' A' ' 29' ' ' GLU . 65.7 mt -68.55 -14.75 63.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -80.07 -31.89 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 82' ' ' LEU . 12.4 mt -47.59 163.7 0.26 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 132.44 15.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -42.15 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.516 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -58.06 -38.54 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.516 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.73 -58.36 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 2.5 mtm105 -49.21 -47.94 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.085 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -50.85 -46.54 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -71.06 -47.76 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 94' ' ' GLU . 61.7 mt -47.81 -54.84 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.664 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 29.5 m-85 -55.61 -42.71 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.33 -49.02 71.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -21.71 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.912 ' HG3' HG13 ' A' ' 39' ' ' VAL . 5.7 tp10 -84.0 -43.1 15.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -46.14 -42.11 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t 63.61 73.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.95 154.01 8.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.35 12.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.07 154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.57 149.73 29.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p 179.89 168.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 p 59.32 157.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.34 87.15 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -165.44 138.61 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.47 152.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.87 108.29 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.67 107.6 3.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.7 12.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -164.78 153.56 11.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.03 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.587 HG22 ' OD1' ' A' ' 13' ' ' ASN . 2.2 m -115.07 -70.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.587 ' OD1' HG22 ' A' ' 12' ' ' THR . 35.2 p-10 -175.57 127.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.4 80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.68 81.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.6 m -67.57 176.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.77 172.66 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.89 138.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -87.8 154.53 53.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.6 21.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.79 17.34 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.7 tp -51.71 -36.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 30.0 m-85 -60.99 -56.31 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.13 -34.63 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -59.0 -47.88 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' ILE . 95.0 t -56.3 -65.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -41.84 -61.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -51.36 -45.29 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 10.5 tp10 -55.73 -51.23 68.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 40' ' ' PHE . 12.8 mt -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.33 -11.1 49.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -52.96 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -85.79 -5.81 59.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.0 t 51.66 43.96 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -104.29 169.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -88.14 139.43 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.602 ' HB3' HD23 ' A' ' 52' ' ' LEU . 38.7 mt-30 -40.62 -34.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.23 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 ' HB3' ' A' ' 94' ' ' GLU . 19.7 t -40.86 -49.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' HA ' HG22 ' A' ' 43' ' ' VAL . 29.9 t80 -65.28 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -36.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 40' ' ' PHE . 14.2 m -99.85 7.51 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.55 -57.0 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -145.22 21.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.94 65.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 10.2 mmt180 -134.88 -173.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.1 p -104.07 -156.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.107 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.15 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.46 -34.61 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -75.12 -64.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 51' ' ' LEU . 24.7 tp -43.34 -48.41 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.72 -49.44 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -27.87 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 51' ' ' LEU . 83.3 mt -76.54 -19.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD12 ' NE2' ' A' ' 37' ' ' GLN . 18.2 mt -101.72 -16.3 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -60.54 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -78.81 -25.19 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 32.9 mt-10 49.65 48.66 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -46.56 104.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.614 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -44.02 139.28 3.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -88.26 -34.84 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -113.14 -21.44 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -39.67 141.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.62 151.55 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.7 mt-30 -43.9 -44.19 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 p -50.33 -47.18 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.651 HD22 HD11 ' A' ' 73' ' ' LEU . 1.9 tt -75.2 -54.39 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.9 -42.78 6.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.1 t -51.41 -42.64 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 79.1 m-20 -73.59 -46.84 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.765 HD23 ' HE1' ' A' ' 76' ' ' MET . 60.1 mt -53.02 -51.41 61.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -53.68 -48.52 69.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.737 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -57.56 -51.14 70.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.765 ' HE1' HD23 ' A' ' 73' ' ' LEU . 30.5 mtm -52.09 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.598 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -51.97 -31.78 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.81 -38.51 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.825 ' HE1' HG21 ' A' ' 90' ' ' ILE . 80.6 t80 -75.03 -32.88 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -76.07 -17.84 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -79.67 -18.44 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 ' OE2' ' A' ' 86' ' ' GLU . 14.5 mt -62.38 162.52 18.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.2 Cg_endo -74.99 137.63 21.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.86 -46.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -50.45 -42.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.8 mt-10 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 6.8 mtm105 -53.44 -46.69 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.43 -55.21 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -48.75 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.825 HG21 ' HE1' ' A' ' 79' ' ' PHE . 70.3 mt -45.83 -53.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.646 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 20.2 m-85 -56.08 -49.07 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ASP . 2.9 tp-100 -56.89 -61.78 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' GLN . 2.1 t0 -39.67 -52.38 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.458 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -44.65 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -56.95 -52.78 63.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.36 97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.24 157.62 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.85 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.66 127.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.1 t -167.01 -61.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -163.36 153.09 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 109.959 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -179.08 155.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.68 156.1 6.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -178.53 166.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.65 131.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.07 95.67 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.89 113.64 56.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -119.74 100.75 48.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.72 8.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 55.95 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -167.5 166.48 14.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m -148.23 80.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.2 p 41.19 83.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.59 159.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 3.6 tt0 -82.05 143.51 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 74' ' ' ARG . 41.7 t -111.04 121.74 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 153.76 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.69 16.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.31 13.29 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 tp -47.32 -35.25 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.9 m-85 -66.12 -61.27 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -56.2 -29.88 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -64.3 -51.22 64.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 22' ' ' ILE . 87.0 t -54.06 -61.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.54 -58.67 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.33 -30.74 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.51 ' OE2' ' CZ ' ' A' ' 87' ' ' ARG . 4.9 tp10 -69.12 -47.28 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD13 ' HG3' ' A' ' 37' ' ' GLN . 25.7 mt -60.98 -41.73 97.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.94 -10.59 59.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -51.26 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -90.73 -5.69 55.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.8 t 53.08 40.8 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.644 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.8 m -103.76 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.81 139.77 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.603 ' HG3' HD13 ' A' ' 30' ' ' LEU . 37.6 mt-30 -39.58 -35.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -64.66 -63.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.776 HG13 ' HB3' ' A' ' 94' ' ' GLU . 17.9 t -44.12 -47.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' HA ' HG22 ' A' ' 43' ' ' VAL . 28.6 t80 -67.35 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -47.95 -26.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.47 -35.26 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.621 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 14.9 m -101.23 7.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -102.35 -57.17 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.608 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -142.49 18.56 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 60.16 64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 12.5 mmt180 -136.64 -175.41 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.5 p -100.96 -165.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 3.2 tm0? -94.49 -54.79 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.68 -26.18 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.89 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.679 HD22 ' HB2' ' A' ' 41' ' ' ALA . 28.8 tp -43.9 -34.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -62.74 -54.21 42.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.92 -32.11 65.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.444 HD11 HD21 ' A' ' 51' ' ' LEU . 64.4 mt -69.78 -39.13 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.48 -15.9 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -92.17 -42.48 9.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -87.21 -41.19 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 16.3 mt-10 59.57 45.26 13.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -47.67 105.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m-20 -43.49 139.05 2.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 -35.32 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 p -113.66 -19.02 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.355 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.36 144.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -79.21 150.02 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -41.07 -47.09 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -48.43 -45.63 36.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.768 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -77.49 -53.94 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -43.73 -43.17 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.55 -42.93 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' LEU . 84.9 m-20 -76.71 -47.71 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 69' ' ' LEU . 61.0 mt -50.57 -46.92 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.433 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 77.8 mtt180 -63.41 -44.79 93.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -60.45 -52.55 64.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.565 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 29.2 mtm -48.49 -61.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -50.74 -35.84 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.469 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 1.5 t-20 -67.8 -24.0 65.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.801 ' HE1' HG21 ' A' ' 90' ' ' ILE . 75.0 t80 -93.14 -27.96 16.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 83.6 mt -81.05 -20.2 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.511 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 42.7 p30 -91.95 10.07 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 82' ' ' LEU . 12.2 mt -83.75 164.96 42.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.99 135.84 19.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -43.04 -44.33 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.11 -40.44 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -68.81 -59.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -51.53 -47.24 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.86 -60.69 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -49.23 76.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.801 HG21 ' HE1' ' A' ' 79' ' ' PHE . 61.9 mt -45.57 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 33' ' ' ALA . 19.2 m-85 -50.87 -48.69 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -55.54 -50.96 68.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.33 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.776 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -41.86 -63.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -47.53 -52.44 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.99 83.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 146.92 139.28 3.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.67 38.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -155.99 -61.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.2 t -122.61 -57.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.976 . . . . . . . . 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 . . . . . . . . . . . . . 0.1 OUTLIER -101.38 172.07 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.052 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -93.73 167.95 11.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.01 130.62 6.94 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.47 84.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.724 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -169.92 92.36 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.35 -121.94 1.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -74.99 118.7 72.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.07 4.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -177.9 105.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.259 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.2 7.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.58 140.45 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.25 134.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.29 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 m 51.35 62.03 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.53 178.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -91.23 173.61 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.63 149.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.643 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -100.5 152.34 37.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -101.76 2.97 39.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 19' ' ' SER . 1.3 tp -41.56 -37.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 21.4 m-85 -65.0 -61.55 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.15 -29.05 65.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -64.59 -57.5 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' ILE . 65.6 t -46.3 -57.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -47.46 -53.57 13.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.55 -35.05 71.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' OE1' HD22 ' A' ' 80' ' ' LEU . 4.5 tp10 -65.97 -47.97 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 40' ' ' PHE . 11.8 mt -60.35 -43.67 96.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -10.67 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -51.69 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' CB ' ' CD2' ' A' ' 91' ' ' TYR . . . -87.18 -6.07 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' LEU . 7.0 t 54.15 42.5 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.647 HG11 ' CD1' ' A' ' 91' ' ' TYR . 1.9 m -107.45 174.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.632 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -100.04 140.58 34.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.51 ' HG3' HD13 ' A' ' 30' ' ' LEU . 14.4 mt-30 -37.12 -42.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -56.98 -68.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 94' ' ' GLU . 42.7 t -44.78 -58.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CG ' HD21 ' A' ' 30' ' ' LEU . 4.2 t80 -51.3 -44.63 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -66.84 -33.61 75.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.2 tpt85 -64.64 -27.34 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' CE1' ' A' ' 79' ' ' PHE . 8.0 m -102.65 -32.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 40' ' ' PHE . . . -61.36 -57.56 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.1 p90 -149.15 36.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 42.36 66.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -133.74 -176.44 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -101.05 -158.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.592 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 2.6 tt0 -101.65 -57.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.04 -29.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -83.18 -67.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.672 ' N ' HD13 ' A' ' 51' ' ' LEU . 31.3 tp -42.44 -37.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -51.34 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 3.1 pt-20 -61.58 -32.56 72.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 mt -69.67 -20.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 mt -98.73 -17.88 18.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -48.87 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -85.22 -20.17 30.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.612 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 41.9 mt-10 42.27 48.63 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.57 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -47.64 104.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 6.2 t0 -44.53 137.05 4.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -89.8 -35.61 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -113.54 -19.38 11.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -40.85 136.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.94 154.29 37.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.9 mt-30 -50.19 -37.04 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -42.81 86.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -77.99 -53.22 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 62' ' ' PRO . 6.5 mt -44.62 -46.6 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 67' ' ' GLN . 3.0 t -47.63 -40.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 78.8 m-20 -79.26 -50.47 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 69' ' ' LEU . 65.6 mt -48.6 -43.66 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -62.28 -46.21 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -58.25 -57.09 14.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.508 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 28.4 mtm -46.06 -63.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.74 -29.35 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.35 -28.88 53.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.704 ' CE1' HG23 ' A' ' 43' ' ' VAL . 66.4 t80 -80.15 -35.22 36.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.503 HD22 ' OE1' ' A' ' 29' ' ' GLU . 62.2 mt -72.64 -15.55 61.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.73 -27.44 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.7 164.06 0.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.47 ' HG2' ' CG ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.97 132.35 15.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -42.31 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.515 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -57.8 -38.67 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' OE1' ' CG2' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -69.5 -58.56 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.7 mtm105 -48.51 -40.19 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -49.17 74.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.61 -42.94 73.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 94.2 mt -53.37 -59.92 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.647 ' CD1' HG11 ' A' ' 35' ' ' VAL . 24.3 m-85 -49.53 -41.41 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -66.34 -53.89 30.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -45.05 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.582 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -52.88 -63.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -57.7 -51.34 69.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.17 138.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.54 -136.48 4.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 138.84 23.64 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.3 p -84.99 -58.6 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 p -65.4 145.61 55.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.78 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -154.48 170.23 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.63 164.21 35.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -152.53 165.85 33.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.14 -51.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.56 131.14 42.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -148.29 107.48 3.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -170.04 156.38 5.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -63.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m 61.36 139.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 70.03 164.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -150.13 -56.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.409 ' HB3' ' NH2' ' A' ' 74' ' ' ARG . 16.4 m -136.58 27.01 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.056 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 t 62.15 140.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.97 158.45 15.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -138.41 137.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 151.3 40.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -19.19 17.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -97.0 14.0 27.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' HB2' ' A' ' 77' ' ' GLN . 1.6 tp -42.66 -32.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' GLU . 23.6 m-85 -65.67 -59.71 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -57.03 -35.99 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.41 -52.24 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 22' ' ' ILE . 73.7 t -51.43 -63.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.1 -50.08 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -43.75 97.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 40' ' ' PHE . 4.4 tm-20 -57.67 -44.13 85.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD13 ' HG3' ' A' ' 37' ' ' GLN . 19.8 mt -61.97 -49.67 75.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.76 -11.35 45.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -51.6 6.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' HB1' ' CD2' ' A' ' 91' ' ' TYR . . . -91.46 -2.83 57.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.5 t 51.03 46.2 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.657 HG23 ' N ' ' A' ' 36' ' ' SER . 2.0 m -106.76 176.29 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.657 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -98.07 138.75 34.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HG3' HD13 ' A' ' 30' ' ' LEU . 15.8 mt-30 -40.42 -28.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.788 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -72.45 -67.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.784 HG13 ' HB3' ' A' ' 94' ' ' GLU . 40.7 t -41.24 -57.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CD1' ' OE1' ' A' ' 29' ' ' GLU . 27.7 t80 -51.13 -38.97 55.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -70.13 -48.67 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -49.28 -26.24 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.6 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 32.7 m -103.48 -48.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 43' ' ' VAL . . . -47.25 -58.07 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 1.4 p90 -150.4 43.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' PHE . 5.6 t-20 35.37 66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.81 176.25 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.2 p -95.3 -169.54 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.788 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 15.2 tm0? -92.45 -56.69 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.43 -29.74 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.553 HD13 ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -81.77 -62.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 37' ' ' GLN . 41.1 tp -47.63 -35.57 9.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -51.64 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.32 -28.49 69.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -73.45 -22.43 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.96 -19.52 19.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -83.95 -48.58 9.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -83.96 -37.97 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 15.7 mt-10 60.19 49.0 7.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.581 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -47.38 104.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.737 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.2 m-20 -44.63 137.08 4.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' HD21 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.07 1.55 7.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -89.06 -37.44 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.437 HG22 ' HB2' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -114.37 -17.69 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -38.89 147.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.0 153.38 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.11 -45.6 22.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -37.1 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.743 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -84.63 -54.42 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 62' ' ' PRO . 8.6 mt -45.6 -42.57 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.87 -39.61 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 3.2 m-20 -79.17 -51.81 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.743 HD21 ' CD2' ' A' ' 69' ' ' LEU . 69.0 mt -46.02 -39.52 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 15' ' ' SER . 29.0 mtt180 -68.28 -44.31 75.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 45' ' ' PHE . . . -59.26 -55.87 29.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.517 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 29.2 mtm -47.29 -64.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.758 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.7 tp60 -51.44 -38.4 53.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.5 -38.46 89.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CZ ' ' CG2' ' A' ' 43' ' ' VAL . 88.2 t80 -74.72 -23.17 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.08 -21.57 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -74.89 -17.91 60.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 82' ' ' LEU . 14.0 mt -58.03 164.11 3.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' GLU . 18.1 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.45 -37.87 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 85' ' ' VAL . 1.1 m -60.77 -39.07 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' PRO . 8.4 mm-40 -69.74 -59.17 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 1.6 mtm105 -44.68 -46.71 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.35 -41.26 75.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.89 -54.54 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.533 HG22 HG11 ' A' ' 43' ' ' VAL . 97.9 mt -43.69 -50.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.64 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 19.6 m-85 -58.48 -44.64 89.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -58.15 -44.87 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -38.1 83.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.784 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -59.51 -60.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -57.35 -49.34 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -47.15 102.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.56 -93.39 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.8 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' GLY . 8.4 t -72.45 -50.09 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.56 -85.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 stop_ save_