data_1g04_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 1g04 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.5 p90 -174.3 -162.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -172.99 89.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 1.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.87 102.49 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -162.01 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.878 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -21.7 109.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.36 106.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -83.75 101.83 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -110.63 -59.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 164.73 -75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' ARG . 29.3 mtt -60.39 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.405 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.58 78.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.0 110.993 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.7 mmt180 -133.19 -6.56 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.878 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.94 150.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.661 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.02 -84.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 1.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.08 -70.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 58.93 44.75 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.61 82.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 176.74 178.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.01 57.75 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.849 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -116.28 -38.03 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 1.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.849 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.98 12.96 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 1.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ARG . 30.8 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.429 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.3 p90 -164.29 -159.23 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.21 84.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 1.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.67 103.17 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.619 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -164.54 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.873 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -15.77 106.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.995 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.424 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -43.3 105.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.6 mpt_? -80.09 104.69 10.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 1.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.487 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.51 -61.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 163.34 -72.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' ARG . 37.7 mtt -62.3 -167.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.1 78.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 mmt85 -133.53 -6.73 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.873 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -178.04 150.91 0.78 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 111.055 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -87.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 1.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.57 -71.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 59.51 49.61 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.5 76.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.55 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -176.6 -170.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 111.036 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.23 48.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.731 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -106.2 -38.97 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.731 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 16.32 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 1.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -172.07 -158.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.71 87.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 1.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -83.24 100.58 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtt85 -159.1 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.89 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -25.48 110.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 1.0 110.944 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.54 111.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 1.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -87.12 103.08 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.4 -59.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 164.98 -75.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 1.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' ARG . 38.8 mtt -60.31 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.65 80.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 1.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 8.0 mmt85 -135.92 -9.36 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.89 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -172.5 147.77 1.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.676 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.02 -84.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.78 -75.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 64.59 40.38 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.07 81.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 179.22 -177.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.44 50.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.741 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -108.46 -40.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.741 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 3.94 5.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.34 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.419 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 8.9 p90 -165.0 -153.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.419 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -174.19 78.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.72 105.21 6.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -164.03 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 1.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.91 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.11 105.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.8 104.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 1.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.511 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.46 101.26 8.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.56 -58.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.35 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t30 164.61 -75.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ARG . 47.3 mtt -60.12 -165.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -64.27 78.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.0 mmt85 -133.6 -8.65 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.91 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -176.81 148.93 0.82 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -86.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 1.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.92 -74.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 63.84 41.32 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.53 85.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.86 -177.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 1.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.78 51.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.76 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.71 -39.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.76 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 15.87 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 1.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' H ' ' C ' ' A' ' 23' ' ' ARG . 29.7 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -171.27 -157.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.11 73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.16 100.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -160.98 -70.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.857 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.66 112.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 1.0 110.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.07 101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -79.98 96.84 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.329 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -105.55 -61.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 167.94 -76.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' ARG . 26.4 mtt -59.53 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -60.77 78.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.483 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.7 mmt180 -132.67 -8.58 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 1.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.857 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.42 149.26 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 111.038 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.98 -87.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 1.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.82 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 63.39 42.3 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 16.0 m -144.86 86.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 174.54 -176.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.0 49.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.78 -37.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.782 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.809 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.3 p90 -173.7 -160.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 5.7 mm-40 -169.64 77.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.02 99.05 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.3 mtm-85 -157.68 -62.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -31.83 113.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.16 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 111.021 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.48 96.36 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -104.44 -59.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 165.08 -76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 19.3 mtt -60.38 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -58.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 3.7 mmt180 -136.86 -5.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -177.15 149.58 0.81 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 1.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.48 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 57.24 46.44 18.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.32 80.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.78 -177.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -100.15 44.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.717 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -103.42 -38.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.717 ' CD ' ' N ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.95 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 1.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.287 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -169.95 -161.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.35 77.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.93 113.86 19.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 1.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.499 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -171.0 -67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.04 107.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 111.027 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.507 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.86 108.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.0 mpt_? -81.51 101.9 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 1.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -109.66 -61.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 165.41 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ARG . 25.8 mtt -61.95 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 1.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.24 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.2 mmt180 -134.63 -5.66 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.859 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -178.12 147.69 0.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 111.022 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.69 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.06 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 1.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.58 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 59.16 52.08 6.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 m -148.4 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -175.93 -177.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 110.964 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 54.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.795 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -111.61 -38.17 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.795 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.96 19.0 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 1.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 23' ' ' ARG . 17.4 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.404 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.3 p90 -171.95 -156.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.7 mm-40 -171.25 80.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 99.66 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.8 mtm-85 -159.23 -78.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.834 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.01 109.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.48 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.83 110.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.2 101.06 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.0 -58.89 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 1.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.8 t30 161.97 -74.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' ARG . 15.0 mtt -60.74 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.07 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.521 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 11.6 mmt85 -130.7 -11.25 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.834 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -174.09 149.38 1.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.02 -81.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 1.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.83 -71.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 64.74 44.01 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.446 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 18.8 m -145.72 92.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.77 -176.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.73 46.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.719 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -104.4 -39.11 0.19 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 12.36 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.567 1.825 . . . . 1.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.5 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.409 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 4.9 p90 -171.22 -159.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.27 74.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -73.85 104.13 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.576 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.7 mtm-85 -164.24 -72.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 1.0 110.325 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.889 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.19 109.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.053 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.443 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.68 111.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.08 103.13 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.86 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.47 -72.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ARG . 40.0 mtt -62.2 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -62.13 77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 111.038 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 7.5 mmt180 -132.97 -4.92 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.889 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -178.78 146.9 0.52 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.93 -83.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.45 -71.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 61.03 42.41 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.4 78.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -177.23 178.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 110.964 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 48.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.731 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.03 -40.27 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.731 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 13.15 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 1.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.2 p90 -171.09 -159.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 mm-40 -167.34 89.61 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 1.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.71 102.56 13.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.591 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -163.16 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -20.36 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 111.017 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.46 111.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -84.19 98.27 9.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -107.16 -60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 t30 162.84 -73.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.8 mtm -62.09 -168.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -59.46 78.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.6 mmt85 -134.44 -9.27 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.864 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.2 p90 -177.18 148.18 0.73 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 1.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.03 -81.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.23 -70.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 59.41 43.86 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m -144.83 85.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.9 178.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.49 48.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.719 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.72 -40.9 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.02 24.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 1.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.498 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.495 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.5 p90 -174.36 -160.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -168.44 97.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.58 103.82 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.2 mtm-85 -163.28 -66.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.53 108.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.444 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.17 105.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -81.21 101.7 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.37 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 167.85 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' ARG . 49.1 mtp -61.07 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -61.18 80.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 111.046 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 12.9 mmt85 -134.47 -9.05 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.864 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.41 148.67 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.658 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.98 -84.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -69.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.25 45.44 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 19.5 m -140.21 85.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.599 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.1 -174.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.9 48.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 1.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.762 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -108.33 -38.15 0.14 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.762 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.1 Cg_endo -74.99 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 1.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.1 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.449 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.2 p90 -172.72 -162.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.1 mm-40 -163.47 91.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -84.46 100.46 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 8' ' ' TYR . 3.3 mtm-85 -159.84 -68.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.874 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -28.0 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.495 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.48 108.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -81.16 100.24 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.25 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 1.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 161.92 -70.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.4 mtm -62.75 -167.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -63.94 79.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 4.5 mmt180 -134.2 -7.72 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.874 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -174.35 147.94 1.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.716 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -75.03 -77.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 1.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -170.36 -72.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.65 39.98 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 1.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 12.1 m -146.99 97.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 169.37 179.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.37 48.86 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.753 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.76 -39.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.753 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.0 Cg_endo -75.07 4.22 4.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 1.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -176.41 -165.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -159.25 88.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.0 104.08 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.569 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -162.85 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.868 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.79 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 111.037 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.58 104.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 111.027 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -79.86 104.19 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.47 -63.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.402 ' ND2' ' HG3' ' A' ' 13' ' ' MET . 2.0 t30 167.6 -74.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' ARG . 56.5 mtm -61.03 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.64 80.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.6 mmt180 -135.49 -6.54 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 1.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.868 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -176.1 149.85 1.02 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -74.97 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 61.47 45.73 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.53 80.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.518 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.36 178.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -94.87 48.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.702 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.24 -41.11 0.17 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.702 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 11.13 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.409 ' H ' ' C ' ' A' ' 23' ' ' ARG . 34.0 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -172.68 -157.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' NE2' ' A' ' 19' ' ' GLN . 0.3 OUTLIER -168.7 95.65 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 1.0 110.283 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -93.23 106.48 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.9 mtm-85 -165.0 -68.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.876 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.65 110.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.518 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.09 106.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 111.055 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.4 mpt_? -81.22 97.03 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 1.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -103.76 -58.8 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.0 t30 163.57 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 21.2 mtm -60.07 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.05 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.958 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.2 mmt180 -132.43 -3.95 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.0 110.352 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.876 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.34 149.72 0.96 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.666 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.01 -86.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.44 -72.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 5' ' ' GLU . 2.7 mt-30 59.84 42.2 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 1.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 10.3 m -143.08 88.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.565 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.92 -177.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.37 48.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.71 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.79 -41.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.71 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 19.88 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 1.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -170.22 -165.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 111.049 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.29 87.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.278 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -86.67 102.92 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -163.38 -68.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.868 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.47 109.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.1 112.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -85.76 102.73 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -112.99 -62.53 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 165.18 -73.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 15' ' ' ARG . 27.3 mtm -60.86 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.5 75.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.9 mmt85 -129.88 -9.05 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.868 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.38 148.0 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.627 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -74.96 -82.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 1.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.02 -74.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 64.03 42.39 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.97 82.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.48 -179.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 111.052 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -97.57 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.769 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.53 -35.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.769 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.0 16.51 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 23' ' ' ARG . 28.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.2 p90 -177.99 -161.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -167.65 89.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.74 102.1 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -162.33 -73.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.833 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.87 106.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 111.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.545 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.96 108.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 1.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -80.81 99.38 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 1.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.545 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.96 -67.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 169.64 -72.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 1.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ARG . 22.8 mtt -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.09 75.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 1.0 110.967 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.0 mmt180 -128.52 -11.99 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.833 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -172.79 150.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.623 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.433 1.754 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 -75.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 60.48 37.51 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.411 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 5.2 m -141.3 83.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 177.84 -174.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -101.78 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.796 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -111.08 -39.31 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 1.0 110.252 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.796 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.94 12.96 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.7 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 1.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.2 p90 -175.18 -158.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -173.81 95.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -86.18 106.24 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -165.17 -71.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.894 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.85 108.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.468 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.84 105.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -79.47 101.54 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.556 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -108.7 -62.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.52 -71.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 8.6 mtt -64.15 -165.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -62.89 77.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 1.0 111.0 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.556 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 3.6 mmt180 -133.62 -10.79 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.894 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -175.05 146.31 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.99 -82.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 1.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -171.13 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 67.03 48.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 1.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 m -148.18 83.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 178.56 -176.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -99.3 47.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.761 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.9 -39.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.761 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.99 6.64 3.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.776 . . . . 1.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 9.7 p90 -162.87 -159.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -174.66 80.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.34 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.35 107.06 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtm-85 -169.39 -73.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 110.239 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.853 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -25.66 105.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.431 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.27 106.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 110.975 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.1 mpt_? -80.75 102.76 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -111.51 -62.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t30 166.52 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.1 mtp -59.54 -162.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -66.26 77.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 10.2 mmt85 -133.56 -8.41 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.853 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -177.82 147.64 0.64 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.671 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.95 -84.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 1.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -76.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 63.08 38.99 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.28 84.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 178.1 175.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.66 47.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.759 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.01 -36.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 1.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.759 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.98 18.37 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 23' ' ' ARG . 32.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.476 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.83 -167.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -163.43 91.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -86.69 104.59 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -166.46 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.819 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.28 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.3 105.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 1.0 110.964 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.57 103.27 11.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -113.56 -61.75 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 167.15 -76.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.7 mtp -58.65 -169.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 1.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -60.03 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' MET . 7.8 mmt85 -132.43 -6.38 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 1.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.819 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -178.37 149.64 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.957 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -75.03 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 1.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.83 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.84 43.21 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.4 m -143.61 79.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.77 -175.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.13 47.81 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.733 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.16 -39.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.733 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.94 8.87 2.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 1.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.74 -155.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 1.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -169.76 77.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 1.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.86 101.88 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.2 mtm-85 -163.32 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.849 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -18.42 110.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 1.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.68 113.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -84.14 103.29 13.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.8 -62.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t30 163.98 -72.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ARG . 28.0 mtt -62.64 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 1.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -63.17 78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.517 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 5.4 mmt85 -134.96 -6.63 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 1.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.849 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -178.85 145.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.95 -78.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 1.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -73.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 62.6 43.35 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.17 84.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 177.47 178.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.82 52.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.818 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -112.41 -38.49 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.818 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 13.36 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 23' ' ' ARG . 23.3 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.8 p90 -172.17 -159.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 1.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -169.81 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 110.259 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.78 104.82 12.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -163.43 -69.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.857 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.56 112.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 1.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.507 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.5 mpt_? -79.31 111.25 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -124.44 -63.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.412 ' CG ' ' N ' ' A' ' 13' ' ' MET . 3.7 t30 168.53 -82.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ARG . 42.3 mtt -53.5 -177.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.81 81.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' MET . 12.9 mmt85 -136.53 -9.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.857 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.61 148.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.99 -84.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.769 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.68 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.43 44.14 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.62 82.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 179.45 -178.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.16 50.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.761 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -109.07 -39.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.761 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 11.43 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' H3 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.408 ' H ' ' H3 ' ' A' ' 1' ' ' GLY . 4.9 p-10 -76.09 -21.09 57.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 1.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -106.33 151.82 24.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.5 p90 -174.3 -162.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -172.99 89.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 1.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.87 102.49 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -162.01 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.878 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -21.7 109.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.36 106.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -83.75 101.83 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -110.63 -59.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 164.73 -75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' ARG . 29.3 mtt -60.39 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.405 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.58 78.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.0 110.993 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.7 mmt180 -133.19 -6.56 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.878 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.94 150.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.661 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.02 -84.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 1.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.08 -70.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 58.93 44.75 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.61 82.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 176.74 178.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.01 57.75 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.849 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -116.28 -38.03 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 1.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.849 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.98 12.96 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 1.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ARG . 30.8 m -93.98 -21.06 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.971 -1.49 . . . . 1.0 108.316 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -80.16 -5.64 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -126.65 139.82 52.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.429 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.3 p90 -164.29 -159.23 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.21 84.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 1.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.67 103.17 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.619 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -164.54 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.873 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -15.77 106.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.995 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -43.3 105.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.6 mpt_? -80.09 104.69 10.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 1.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.487 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.51 -61.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 163.34 -72.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' ARG . 37.7 mtt -62.3 -167.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.1 78.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 mmt85 -133.53 -6.73 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.873 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -178.04 150.91 0.78 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 111.055 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -87.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 1.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.57 -71.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 59.51 49.61 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.5 76.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.55 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -176.6 -170.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 111.036 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.23 48.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.731 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -106.2 -38.97 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.731 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 16.32 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.2 m -94.8 -14.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.991 -1.481 . . . . 1.0 108.334 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -71.89 -12.33 61.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.59 143.32 45.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 1.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -172.07 -158.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.71 87.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 1.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -83.24 100.58 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtt85 -159.1 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.89 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -25.48 110.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 1.0 110.944 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.54 111.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 1.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -87.12 103.08 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.4 -59.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 164.98 -75.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 1.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' ARG . 38.8 mtt -60.31 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.65 80.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 1.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 8.0 mmt85 -135.92 -9.36 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.89 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -172.5 147.77 1.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.676 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.02 -84.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.78 -75.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 64.59 40.38 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.07 81.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 179.22 -177.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.44 50.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.741 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -108.46 -40.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.741 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 3.94 5.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -75.16 -18.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.989 -1.481 . . . . 1.0 108.262 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -69.76 -21.17 63.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.46 142.01 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.419 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 8.9 p90 -165.0 -153.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -174.19 78.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.72 105.21 6.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -164.03 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 1.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.91 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.11 105.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.8 104.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 1.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.511 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.46 101.26 8.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.56 -58.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.35 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t30 164.61 -75.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ARG . 47.3 mtt -60.12 -165.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -64.27 78.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.0 mmt85 -133.6 -8.65 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.91 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -176.81 148.93 0.82 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -86.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 1.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.92 -74.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 63.84 41.32 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.53 85.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.86 -177.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 1.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.78 51.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.76 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.71 -39.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.76 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 15.87 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 1.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' H ' ' C ' ' A' ' 23' ' ' ARG . 29.7 m -101.3 -13.77 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.007 -1.473 . . . . 1.0 108.282 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.461 ' H2 ' ' HA ' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -72.28 -21.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 1.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.29 144.43 31.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.078 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -171.27 -157.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.11 73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.16 100.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -160.98 -70.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.857 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.66 112.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 1.0 110.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.07 101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -79.98 96.84 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.329 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.53 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -105.55 -61.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 167.94 -76.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' ARG . 26.4 mtt -59.53 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -60.77 78.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.483 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.7 mmt180 -132.67 -8.58 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 1.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.857 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.42 149.26 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 111.038 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.98 -87.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 1.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.82 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 63.39 42.3 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 16.0 m -144.86 86.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 174.54 -176.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.461 ' HA ' ' H2 ' ' A' ' 1' ' ' GLY . 0.4 OUTLIER -99.0 49.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.78 -37.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.782 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.809 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -79.62 -17.78 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.996 -1.478 . . . . 1.0 108.35 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.51 ' H2 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -79.44 -25.53 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 1.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -103.79 150.13 24.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.3 p90 -173.7 -160.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 5.7 mm-40 -169.64 77.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.02 99.05 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.3 mtm-85 -157.68 -62.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -31.83 113.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.16 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 111.021 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.48 96.36 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -104.44 -59.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 165.08 -76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 19.3 mtt -60.38 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -58.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 3.7 mmt180 -136.86 -5.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -177.15 149.58 0.81 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 1.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.48 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 57.24 46.44 18.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.32 80.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.78 -177.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' HB3' ' H2 ' ' A' ' 1' ' ' GLY . 0.9 OUTLIER -100.15 44.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 111.003 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.717 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -103.42 -38.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.717 ' CD ' ' N ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.95 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 1.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -76.0 -20.07 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.008 -1.472 . . . . 1.0 108.347 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' H1 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.426 ' H ' ' H1 ' ' A' ' 1' ' ' GLY . 9.7 p-10 -71.99 -23.99 61.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 1.0 109.35 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.02 154.5 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -169.95 -161.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.35 77.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.93 113.86 19.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 1.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -171.0 -67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.04 107.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 111.027 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.507 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.86 108.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.0 mpt_? -81.51 101.9 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 1.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -109.66 -61.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 165.41 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ARG . 25.8 mtt -61.95 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 1.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.24 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.2 mmt180 -134.63 -5.66 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.859 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -178.12 147.69 0.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 111.022 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.69 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.06 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 1.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.58 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 59.16 52.08 6.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 m -148.4 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -175.93 -177.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 110.964 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 54.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.795 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -111.61 -38.17 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.795 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.96 19.0 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 1.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 23' ' ' ARG . 17.4 m -95.47 -19.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.069 -1.443 . . . . 1.0 108.337 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' H1 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' H ' ' H1 ' ' A' ' 1' ' ' GLY . 3.4 p-10 -84.81 -9.4 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 1.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -117.73 153.73 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.404 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.3 p90 -171.95 -156.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.7 mm-40 -171.25 80.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 99.66 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.8 mtm-85 -159.23 -78.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.834 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.01 109.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.48 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.83 110.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.2 101.06 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.0 -58.89 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 1.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.8 t30 161.97 -74.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' ARG . 15.0 mtt -60.74 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.07 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.521 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 11.6 mmt85 -130.7 -11.25 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.834 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -174.09 149.38 1.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.02 -81.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 1.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.83 -71.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 64.74 44.01 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.446 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 18.8 m -145.72 92.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.77 -176.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.73 46.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.719 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -104.4 -39.11 0.19 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 12.36 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.567 1.825 . . . . 1.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.5 m -90.43 -18.07 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.031 -1.461 . . . . 1.0 108.295 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -76.75 -6.93 54.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 1.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -123.16 147.95 46.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.409 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 4.9 p90 -171.22 -159.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.27 74.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -73.85 104.13 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.576 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.7 mtm-85 -164.24 -72.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 1.0 110.325 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.889 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.19 109.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.053 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.443 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.68 111.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.08 103.13 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.86 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.47 -72.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ARG . 40.0 mtt -62.2 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -62.13 77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 111.038 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 7.5 mmt180 -132.97 -4.92 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.889 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -178.78 146.9 0.52 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.93 -83.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.45 -71.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 61.03 42.41 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.4 78.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -177.23 178.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 110.964 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 48.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.731 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.03 -40.27 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.731 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 13.15 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 1.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.8 m -87.66 -18.31 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.068 -1.444 . . . . 1.0 108.276 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -85.74 -14.07 46.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 1.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.47 143.68 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.2 p90 -171.09 -159.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 mm-40 -167.34 89.61 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 1.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.71 102.56 13.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.591 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -163.16 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -20.36 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 111.017 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.46 111.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -84.19 98.27 9.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -107.16 -60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 t30 162.84 -73.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.8 mtm -62.09 -168.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -59.46 78.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.6 mmt85 -134.44 -9.27 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.864 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.2 p90 -177.18 148.18 0.73 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 1.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.03 -81.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.23 -70.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 59.41 43.86 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m -144.83 85.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.9 178.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.49 48.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.719 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.72 -40.9 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.02 24.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 1.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.498 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.5 m -107.47 -21.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.015 -1.469 . . . . 1.0 108.28 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -82.18 -19.58 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 1.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.0 145.29 39.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.495 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.5 p90 -174.36 -160.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -168.44 97.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.58 103.82 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.2 mtm-85 -163.28 -66.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.53 108.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.444 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.17 105.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -81.21 101.7 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.37 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 167.85 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' ARG . 49.1 mtp -61.07 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -61.18 80.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 111.046 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 12.9 mmt85 -134.47 -9.05 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.864 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.41 148.67 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.658 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.98 -84.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -69.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.25 45.44 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 19.5 m -140.21 85.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.599 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.1 -174.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.9 48.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 1.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.762 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -108.33 -38.15 0.14 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.762 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.1 Cg_endo -74.99 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 1.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.1 m -86.71 -16.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.93 -1.51 . . . . 1.0 108.289 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -77.75 -13.61 59.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 1.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -114.54 138.48 50.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.449 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.2 p90 -172.72 -162.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.1 mm-40 -163.47 91.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -84.46 100.46 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 8' ' ' TYR . 3.3 mtm-85 -159.84 -68.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.874 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -28.0 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.495 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.48 108.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -81.16 100.24 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.25 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 1.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 161.92 -70.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.4 mtm -62.75 -167.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -63.94 79.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 4.5 mmt180 -134.2 -7.72 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.874 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -174.35 147.94 1.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.716 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -75.03 -77.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 1.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -170.36 -72.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.65 39.98 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 1.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 12.1 m -146.99 97.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 169.37 179.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.37 48.86 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.753 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.76 -39.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.753 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.0 Cg_endo -75.07 4.22 4.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 1.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.66 -14.48 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.965 -1.493 . . . . 1.0 108.277 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -80.42 -18.67 48.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.19 143.63 40.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -176.41 -165.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -159.25 88.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.0 104.08 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -162.85 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.868 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.79 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 111.037 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.58 104.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 111.027 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -79.86 104.19 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.47 -63.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.402 ' ND2' ' HG3' ' A' ' 13' ' ' MET . 2.0 t30 167.6 -74.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' ARG . 56.5 mtm -61.03 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.64 80.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.6 mmt180 -135.49 -6.54 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 1.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.868 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -176.1 149.85 1.02 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -74.97 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 61.47 45.73 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.53 80.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.36 178.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -94.87 48.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.702 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.24 -41.11 0.17 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.702 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 11.13 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.409 ' H ' ' C ' ' A' ' 23' ' ' ARG . 34.0 m -83.4 -14.85 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.025 -1.464 . . . . 1.0 108.305 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -76.66 -28.25 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 1.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -103.04 146.58 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -172.68 -157.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' NE2' ' A' ' 19' ' ' GLN . 0.3 OUTLIER -168.7 95.65 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 1.0 110.283 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -93.23 106.48 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.9 mtm-85 -165.0 -68.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.876 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.65 110.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.518 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.09 106.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 111.055 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.4 mpt_? -81.22 97.03 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 1.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -103.76 -58.8 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.0 t30 163.57 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 21.2 mtm -60.07 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.05 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.958 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.2 mmt180 -132.43 -3.95 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.0 110.352 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.876 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.34 149.72 0.96 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.666 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.01 -86.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.44 -72.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 5' ' ' GLU . 2.7 mt-30 59.84 42.2 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 1.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 10.3 m -143.08 88.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.565 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.92 -177.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.37 48.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.71 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.79 -41.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.71 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 19.88 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 1.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.5 m -99.56 -15.04 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.054 -1.451 . . . . 1.0 108.293 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -84.48 -0.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.57 150.62 41.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -170.22 -165.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 111.049 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.29 87.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.278 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -86.67 102.92 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -163.38 -68.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.868 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.47 109.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.1 112.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -85.76 102.73 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -112.99 -62.53 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 165.18 -73.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 15' ' ' ARG . 27.3 mtm -60.86 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.5 75.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.9 mmt85 -129.88 -9.05 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.868 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.38 148.0 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.627 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -74.96 -82.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 1.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.02 -74.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 64.03 42.39 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.97 82.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.48 -179.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 111.052 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -97.57 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.769 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.53 -35.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.769 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.0 16.51 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 23' ' ' ARG . 28.5 m -100.2 -15.13 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.049 -1.453 . . . . 1.0 108.278 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.661 ' H1 ' ' HA ' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.4 ' H ' ' H3 ' ' A' ' 1' ' ' GLY . 7.6 p-10 -74.05 -22.07 59.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -108.54 149.43 28.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.2 p90 -177.99 -161.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -167.65 89.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.74 102.1 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -162.33 -73.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.833 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.87 106.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 111.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.545 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.96 108.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 1.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -80.81 99.38 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 1.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.545 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.96 -67.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 169.64 -72.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 1.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ARG . 22.8 mtt -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.09 75.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 1.0 110.967 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.0 mmt180 -128.52 -11.99 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.833 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -172.79 150.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.623 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.433 1.754 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 -75.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 60.48 37.51 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 5.2 m -141.3 83.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 177.84 -174.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.661 ' HA ' ' H1 ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -101.78 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.796 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -111.08 -39.31 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 1.0 110.252 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.796 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.94 12.96 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.7 m -89.8 -18.51 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 1.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 116.972 -1.49 . . . . 1.0 108.293 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.09 -15.52 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 1.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -115.2 148.53 38.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.2 p90 -175.18 -158.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -173.81 95.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -86.18 106.24 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -165.17 -71.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.894 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.85 108.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.468 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.84 105.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -79.47 101.54 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.556 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -108.7 -62.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.52 -71.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 8.6 mtt -64.15 -165.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -62.89 77.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 1.0 111.0 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.556 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 3.6 mmt180 -133.62 -10.79 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.894 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -175.05 146.31 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.99 -82.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 1.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -171.13 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 67.03 48.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 1.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 m -148.18 83.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 178.56 -176.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -99.3 47.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.761 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.9 -39.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.761 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.99 6.64 3.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.776 . . . . 1.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.23 -22.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.036 -1.459 . . . . 1.0 108.304 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' H2 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -84.47 -13.83 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 1.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -114.35 134.7 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.242 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 9.7 p90 -162.87 -159.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -174.66 80.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.34 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.35 107.06 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtm-85 -169.39 -73.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 110.239 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.853 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -25.66 105.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.431 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.27 106.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 110.975 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.1 mpt_? -80.75 102.76 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -111.51 -62.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t30 166.52 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.1 mtp -59.54 -162.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -66.26 77.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 10.2 mmt85 -133.56 -8.41 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.853 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -177.82 147.64 0.64 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.671 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.95 -84.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 1.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -76.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 63.08 38.99 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.28 84.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 178.1 175.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.457 ' HB3' ' H2 ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -96.66 47.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.759 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.01 -36.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 1.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.759 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.98 18.37 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 23' ' ' ARG . 32.5 m -101.03 -15.52 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 1.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.998 -1.477 . . . . 1.0 108.331 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.492 ' H2 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -70.5 -16.4 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 1.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.45 148.66 25.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.476 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.83 -167.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -163.43 91.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -86.69 104.59 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -166.46 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.819 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.28 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.3 105.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 1.0 110.964 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.57 103.27 11.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -113.56 -61.75 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 167.15 -76.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.7 mtp -58.65 -169.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 1.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -60.03 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' MET . 7.8 mmt85 -132.43 -6.38 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 1.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.819 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -178.37 149.64 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.957 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -75.03 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 1.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.83 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.84 43.21 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.4 m -143.61 79.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.77 -175.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.492 ' HB3' ' H2 ' ' A' ' 1' ' ' GLY . 1.2 p90 -99.13 47.81 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 1.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.733 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.16 -39.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.733 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.94 8.87 2.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 1.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.94 -16.77 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.014 -1.469 . . . . 1.0 108.299 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -24.48 58.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 1.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -104.02 145.61 29.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.74 -155.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 1.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -169.76 77.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 1.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.86 101.88 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.2 mtm-85 -163.32 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.849 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -18.42 110.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 1.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.68 113.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -84.14 103.29 13.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.8 -62.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t30 163.98 -72.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ARG . 28.0 mtt -62.64 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 1.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -63.17 78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.517 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 5.4 mmt85 -134.96 -6.63 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 1.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.849 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -178.85 145.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.95 -78.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 1.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -73.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 62.6 43.35 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.17 84.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 177.47 178.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.82 52.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.818 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -112.41 -38.49 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.818 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 13.36 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 23' ' ' ARG . 23.3 m -89.54 -15.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.957 -1.497 . . . . 1.0 108.301 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -77.13 -15.73 59.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 1.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -116.01 146.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.8 p90 -172.17 -159.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 1.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -169.81 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 110.259 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.78 104.82 12.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -163.43 -69.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.857 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.56 112.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 1.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.507 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.5 mpt_? -79.31 111.25 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -124.44 -63.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.412 ' CG ' ' N ' ' A' ' 13' ' ' MET . 3.7 t30 168.53 -82.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ARG . 42.3 mtt -53.5 -177.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.81 81.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' MET . 12.9 mmt85 -136.53 -9.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.857 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.61 148.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.99 -84.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.769 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.68 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.43 44.14 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.62 82.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 179.45 -178.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.16 50.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.761 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -109.07 -39.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.761 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 11.43 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.9 m -91.18 -15.91 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.017 -1.468 . . . . 1.0 108.316 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.5 p90 -174.3 -162.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -172.99 89.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 1.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.87 102.49 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -162.01 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.874 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -21.7 109.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.36 106.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -83.75 101.83 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -110.63 -59.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 164.73 -75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' ARG . 29.3 mtt -60.39 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.405 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.58 78.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.0 110.993 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.7 mmt180 -133.19 -6.56 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.874 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.94 150.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.661 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.02 -84.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 1.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.08 -70.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 58.93 44.75 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.61 82.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 176.74 178.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.01 57.75 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.864 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -116.28 -38.03 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 1.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.864 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.98 12.96 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 1.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.438 ' H ' ' C ' ' A' ' 23' ' ' ARG . 30.8 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.429 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.3 p90 -164.29 -159.23 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.21 84.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 1.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.67 103.17 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.619 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -164.54 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -15.77 106.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.995 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.424 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -43.3 105.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.6 mpt_? -80.09 104.69 10.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 1.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.487 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.51 -61.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 163.34 -72.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' ARG . 37.7 mtt -62.3 -167.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.1 78.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 mmt85 -133.53 -6.73 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -178.04 150.91 0.78 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 111.055 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -87.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 1.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.57 -71.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 59.51 49.61 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.3 m -147.5 76.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -176.6 -170.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 111.036 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.23 48.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.742 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -106.2 -38.97 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.742 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 16.32 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 1.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -172.07 -158.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.71 87.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 1.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -83.24 100.58 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtt85 -159.1 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.883 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -25.48 110.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 1.0 110.944 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.54 111.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 1.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -87.12 103.08 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.4 -59.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 164.98 -75.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 1.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' ARG . 38.8 mtt -60.31 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.65 80.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 1.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 8.0 mmt85 -135.92 -9.36 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.883 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -172.5 147.77 1.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.677 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.02 -84.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.78 -75.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 64.59 40.38 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.07 81.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 179.22 -177.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.44 50.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.754 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -108.46 -40.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.754 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 3.94 5.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.34 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 8.9 p90 -165.0 -153.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.418 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -174.19 78.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.72 105.21 6.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -164.03 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 1.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.904 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.11 105.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.8 104.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 1.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.46 101.26 8.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.56 -58.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.35 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 164.61 -75.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ARG . 47.3 mtt -60.12 -165.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -64.27 78.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.0 mmt85 -133.6 -8.65 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.904 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -176.81 148.93 0.82 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -86.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 1.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.92 -74.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 63.84 41.32 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.53 85.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.86 -177.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 1.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.78 51.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.773 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.71 -39.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.773 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 15.87 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 1.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 23' ' ' ARG . 29.7 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -171.27 -157.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.11 73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.16 100.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -160.98 -70.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.851 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.66 112.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 1.0 110.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.07 101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -79.98 96.84 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.329 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -105.55 -61.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 167.94 -76.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' ARG . 26.4 mtt -59.53 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -60.77 78.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.7 mmt180 -132.67 -8.58 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 1.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.851 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.42 149.26 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 111.038 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.98 -87.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 1.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.82 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 63.39 42.3 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' VAL . 16.0 m -144.86 86.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 174.54 -176.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.0 49.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.795 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.78 -37.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.795 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.809 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.3 p90 -173.7 -160.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 5.7 mm-40 -169.64 77.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.02 99.05 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.3 mtm-85 -157.68 -62.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -31.83 113.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.16 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 111.021 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.48 96.36 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -104.44 -59.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 165.08 -76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 19.3 mtt -60.38 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -58.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 3.7 mmt180 -136.86 -5.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.864 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -177.15 149.58 0.81 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 1.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.48 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 57.24 46.44 18.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' VAL . 15.7 m -145.32 80.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.78 -177.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -100.15 44.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 111.003 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.719 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -103.42 -38.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.95 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 1.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 22' ' ' TYR . 28.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -169.95 -161.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.35 77.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.93 113.86 19.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 1.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.499 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -171.0 -67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.853 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.04 107.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 111.027 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.507 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.86 108.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.0 mpt_? -81.51 101.9 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 1.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -109.66 -61.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 165.41 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ARG . 25.8 mtt -61.95 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 1.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.24 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.2 mmt180 -134.63 -5.66 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.853 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -178.12 147.69 0.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 111.022 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.689 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.06 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 1.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.58 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 59.16 52.08 6.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 m -148.4 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -175.93 -177.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 110.964 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 54.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.809 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -111.61 -38.17 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.809 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.96 19.0 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 1.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ARG . 17.4 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.403 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.3 p90 -171.95 -156.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.403 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.7 mm-40 -171.25 80.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 99.66 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.8 mtm-85 -159.23 -78.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.826 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.01 109.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.83 110.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.2 101.06 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.0 -58.89 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 1.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.8 t30 161.97 -74.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' ARG . 15.0 mtt -60.74 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.07 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.521 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 11.6 mmt85 -130.7 -11.25 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.826 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -174.09 149.38 1.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.02 -81.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 1.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.83 -71.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 64.74 44.01 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 20' ' ' VAL . 18.8 m -145.72 92.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.77 -176.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.73 46.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.731 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -104.4 -39.11 0.19 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.731 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 12.36 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.567 1.825 . . . . 1.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.5 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.408 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 4.9 p90 -171.22 -159.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.408 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.27 74.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -73.85 104.13 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.576 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.7 mtm-85 -164.24 -72.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 1.0 110.325 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.876 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.19 109.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.053 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.443 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.68 111.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.486 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.08 103.13 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.86 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.47 -72.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ARG . 40.0 mtt -62.2 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -62.13 77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 111.038 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 7.5 mmt180 -132.97 -4.92 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.876 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -178.78 146.9 0.52 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.93 -83.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.45 -71.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.03 42.41 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.4 78.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -177.23 178.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 110.964 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 48.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.742 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.03 -40.27 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.742 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 13.15 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 1.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.2 p90 -171.09 -159.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 mm-40 -167.34 89.61 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 1.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.71 102.56 13.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.591 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -163.16 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.858 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -20.36 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 111.017 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.46 111.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -84.19 98.27 9.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -107.16 -60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 t30 162.84 -73.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.8 mtm -62.09 -168.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -59.46 78.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.6 mmt85 -134.44 -9.27 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.858 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.2 p90 -177.18 148.18 0.73 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 1.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.03 -81.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.23 -70.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 59.41 43.86 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' VAL . 15.7 m -144.83 85.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.9 178.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.49 48.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.732 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.72 -40.9 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.732 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.02 24.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 1.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.508 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.495 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.5 p90 -174.36 -160.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -168.44 97.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.58 103.82 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.2 mtm-85 -163.28 -66.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.851 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.53 108.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.17 105.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -81.21 101.7 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.37 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 167.85 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' ARG . 49.1 mtp -61.07 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -61.18 80.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 111.046 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 12.9 mmt85 -134.47 -9.05 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.851 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.41 148.67 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.98 -84.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -69.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 62.25 45.44 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 20' ' ' VAL . 19.5 m -140.21 85.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.599 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.1 -174.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.9 48.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 1.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.771 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -108.33 -38.15 0.14 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.1 Cg_endo -74.99 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 1.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.1 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.45 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.2 p90 -172.72 -162.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.1 mm-40 -163.47 91.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -84.46 100.46 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 8' ' ' TYR . 3.3 mtm-85 -159.84 -68.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.87 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -28.0 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.495 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.48 108.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -81.16 100.24 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.25 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 1.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 161.92 -70.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.4 mtm -62.75 -167.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -63.94 79.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 4.5 mmt180 -134.2 -7.72 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.87 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -174.35 147.94 1.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.717 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -75.03 -77.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 1.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -170.36 -72.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.65 39.98 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 1.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 12.1 m -146.99 97.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 169.37 179.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.37 48.86 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.763 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.76 -39.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.763 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.0 Cg_endo -75.07 4.22 4.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 1.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -176.41 -165.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -159.25 88.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.0 104.08 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.569 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -162.85 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.861 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.79 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 111.037 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.58 104.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 111.027 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -79.86 104.19 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.47 -63.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 167.6 -74.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' ARG . 56.5 mtm -61.03 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.64 80.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.6 mmt180 -135.49 -6.54 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 1.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.861 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -176.1 149.85 1.02 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -74.97 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 61.47 45.73 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.53 80.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.36 178.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -94.87 48.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.712 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.24 -41.11 0.17 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.712 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 11.13 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' ARG . 34.0 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -172.68 -157.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.7 95.65 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 1.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -93.23 106.48 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.9 mtm-85 -165.0 -68.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.65 110.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.518 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.09 106.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 111.055 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.4 mpt_? -81.22 97.03 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 1.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -103.76 -58.8 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.0 t30 163.57 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 21.2 mtm -60.07 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.05 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.958 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.2 mmt180 -132.43 -3.95 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.0 110.352 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.34 149.72 0.96 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.665 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.01 -86.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.44 -72.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 59.84 42.2 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 1.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 10.3 m -143.08 88.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.92 -177.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.37 48.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.722 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.79 -41.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.722 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 19.88 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 1.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -170.22 -165.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 111.049 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.29 87.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.278 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -86.67 102.92 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -163.38 -68.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.47 109.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.1 112.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -85.76 102.73 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -112.99 -62.53 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.18 -73.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 15' ' ' ARG . 27.3 mtm -60.86 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.5 75.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.9 mmt85 -129.88 -9.05 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.859 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.38 148.0 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.628 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -74.96 -82.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 1.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.02 -74.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 64.03 42.39 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.97 82.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.48 -179.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 111.052 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -97.57 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.53 -35.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.782 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.0 16.51 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 23' ' ' ARG . 28.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.2 p90 -177.99 -161.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -167.65 89.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.74 102.1 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -162.33 -73.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.829 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.87 106.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 111.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.546 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.96 108.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 1.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -80.81 99.38 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 1.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.546 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.96 -67.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 169.64 -72.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 1.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ARG . 22.8 mtt -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.09 75.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 1.0 110.967 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.0 mmt180 -128.52 -11.99 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.829 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -172.79 150.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.624 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.433 1.754 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 -75.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 60.48 37.51 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.411 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 5.2 m -141.3 83.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 177.84 -174.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -101.78 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.809 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -111.08 -39.31 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 1.0 110.252 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.809 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.94 12.96 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.7 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 1.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.443 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 7.2 p90 -175.18 -158.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.443 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -173.81 95.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -86.18 106.24 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -165.17 -71.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.889 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.85 108.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.467 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.84 105.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -79.47 101.54 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.557 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -108.7 -62.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.52 -71.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 8.6 mtt -64.15 -165.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -62.89 77.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 1.0 111.0 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.557 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 3.6 mmt180 -133.62 -10.79 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.889 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -175.05 146.31 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.99 -82.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 1.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -171.13 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 67.03 48.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 1.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.1 m -148.18 83.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 178.56 -176.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -99.3 47.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.771 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.9 -39.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.99 6.64 3.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.776 . . . . 1.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 9.7 p90 -162.87 -159.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -174.66 80.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.34 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.35 107.06 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtm-85 -169.39 -73.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 110.239 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.847 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -25.66 105.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.27 106.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 110.975 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.1 mpt_? -80.75 102.76 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -111.51 -62.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t30 166.52 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.1 mtp -59.54 -162.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -66.26 77.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 10.2 mmt85 -133.56 -8.41 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.847 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -177.82 147.64 0.64 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.671 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.95 -84.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 1.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -76.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 63.08 38.99 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.28 84.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 178.1 175.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.66 47.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.77 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.01 -36.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 1.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.77 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.98 18.37 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 23' ' ' ARG . 32.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.477 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.83 -167.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -163.43 91.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -86.69 104.59 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -166.46 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.811 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.28 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.3 105.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 1.0 110.964 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.57 103.27 11.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -113.56 -61.75 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 167.15 -76.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.7 mtp -58.65 -169.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 1.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -60.03 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' MET . 7.8 mmt85 -132.43 -6.38 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 1.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.811 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -178.37 149.64 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.957 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -75.03 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 1.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.83 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.84 43.21 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 20' ' ' VAL . 15.4 m -143.61 79.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.77 -175.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.13 47.81 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.746 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.16 -39.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.746 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.94 8.87 2.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 1.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.74 -155.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 1.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -169.76 77.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 1.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.86 101.88 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.2 mtm-85 -163.32 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.84 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -18.42 110.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 1.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.68 113.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -84.14 103.29 13.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.8 -62.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t30 163.98 -72.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ARG . 28.0 mtt -62.64 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 1.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -63.17 78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 5.4 mmt85 -134.96 -6.63 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 1.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.84 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -178.85 145.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.95 -78.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 1.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -73.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 62.6 43.35 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.17 84.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 177.47 178.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.82 52.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.832 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -112.41 -38.49 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.832 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 13.36 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 23' ' ' ARG . 23.3 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.8 p90 -172.17 -159.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 1.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -169.81 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 110.259 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.78 104.82 12.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -163.43 -69.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.849 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.56 112.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 1.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.5 mpt_? -79.31 111.25 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -124.44 -63.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.412 ' CG ' ' N ' ' A' ' 13' ' ' MET . 3.7 t30 168.53 -82.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ARG . 42.3 mtt -53.5 -177.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.81 81.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' MET . 12.9 mmt85 -136.53 -9.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.849 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.61 148.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.99 -84.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.769 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.68 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.43 44.14 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.62 82.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 179.45 -178.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.16 50.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.773 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -109.07 -39.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.773 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 11.43 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -76.09 -21.09 57.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 1.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -106.33 151.82 24.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.5 p90 -174.3 -162.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -172.99 89.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 1.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.87 102.49 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -162.01 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.874 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -21.7 109.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.36 106.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -83.75 101.83 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -110.63 -59.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 164.73 -75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' ARG . 29.3 mtt -60.39 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.405 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.58 78.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.0 110.993 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.7 mmt180 -133.19 -6.56 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.874 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.94 150.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.661 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.02 -84.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 1.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.08 -70.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 58.93 44.75 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.61 82.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 176.74 178.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.01 57.75 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.864 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -116.28 -38.03 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 1.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.864 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.98 12.96 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 1.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.438 ' H ' ' C ' ' A' ' 23' ' ' ARG . 30.8 m -93.98 -21.06 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.971 -1.49 . . . . 1.0 108.316 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.529 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -80.16 -5.64 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -126.65 139.82 52.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.429 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.3 p90 -164.29 -159.23 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.21 84.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 1.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.67 103.17 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.619 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -164.54 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -15.77 106.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.995 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -43.3 105.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.6 mpt_? -80.09 104.69 10.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 1.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.487 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.51 -61.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 163.34 -72.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' ARG . 37.7 mtt -62.3 -167.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.1 78.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 mmt85 -133.53 -6.73 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -178.04 150.91 0.78 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 111.055 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -87.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 1.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.57 -71.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 59.51 49.61 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.3 m -147.5 76.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -176.6 -170.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 111.036 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -104.23 48.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 111.024 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.742 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -106.2 -38.97 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.742 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 16.32 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.2 m -94.8 -14.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.991 -1.481 . . . . 1.0 108.334 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -71.89 -12.33 61.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.59 143.32 45.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 1.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -172.07 -158.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.71 87.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 1.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -83.24 100.58 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtt85 -159.1 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.883 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -25.48 110.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 1.0 110.944 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.54 111.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 1.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -87.12 103.08 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.4 -59.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 164.98 -75.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 1.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' ARG . 38.8 mtt -60.31 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.65 80.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 1.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 8.0 mmt85 -135.92 -9.36 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.883 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -172.5 147.77 1.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.677 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.02 -84.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.78 -75.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 64.59 40.38 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.07 81.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 179.22 -177.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.44 50.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.754 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -108.46 -40.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.754 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 3.94 5.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -75.16 -18.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.989 -1.481 . . . . 1.0 108.262 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -69.76 -21.17 63.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.46 142.01 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 8.9 p90 -165.0 -153.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -174.19 78.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.72 105.21 6.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -164.03 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 1.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.904 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.11 105.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.8 104.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 1.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.46 101.26 8.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.56 -58.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.35 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 164.61 -75.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ARG . 47.3 mtt -60.12 -165.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -64.27 78.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.0 mmt85 -133.6 -8.65 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.904 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -176.81 148.93 0.82 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -86.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 1.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.92 -74.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 63.84 41.32 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.53 85.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.86 -177.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 1.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.78 51.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.773 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.71 -39.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.773 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 15.87 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 1.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 23' ' ' ARG . 29.7 m -101.3 -13.77 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.007 -1.473 . . . . 1.0 108.282 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.7 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -72.28 -21.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 1.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.29 144.43 31.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.078 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -171.27 -157.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.11 73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.16 100.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -160.98 -70.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.851 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.66 112.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 1.0 110.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.07 101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -79.98 96.84 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.329 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.53 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -105.55 -61.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 167.94 -76.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' ARG . 26.4 mtt -59.53 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -60.77 78.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.7 mmt180 -132.67 -8.58 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 1.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.851 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.42 149.26 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 111.038 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.98 -87.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 1.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.82 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 63.39 42.3 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' VAL . 16.0 m -144.86 86.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 174.54 -176.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.7 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 0.4 OUTLIER -99.0 49.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.795 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.78 -37.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.795 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.809 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -79.62 -17.78 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.996 -1.478 . . . . 1.0 108.35 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -79.44 -25.53 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 1.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -103.79 150.13 24.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.3 p90 -173.7 -160.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 5.7 mm-40 -169.64 77.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.02 99.05 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.3 mtm-85 -157.68 -62.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -31.83 113.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.16 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 111.021 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.48 96.36 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -104.44 -59.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 165.08 -76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 19.3 mtt -60.38 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -58.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 3.7 mmt180 -136.86 -5.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.864 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -177.15 149.58 0.81 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 1.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.48 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 57.24 46.44 18.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' VAL . 15.7 m -145.32 80.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.78 -177.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -100.15 44.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 111.003 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.719 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -103.42 -38.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.95 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 1.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 22' ' ' TYR . 28.0 m -76.0 -20.07 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.008 -1.472 . . . . 1.0 108.347 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.475 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.475 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 9.7 p-10 -71.99 -23.99 61.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 1.0 109.35 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.02 154.5 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -169.95 -161.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.35 77.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.93 113.86 19.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 1.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -171.0 -67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.853 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.04 107.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 111.027 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.507 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.86 108.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.0 mpt_? -81.51 101.9 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 1.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -109.66 -61.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 165.41 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ARG . 25.8 mtt -61.95 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 1.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.24 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.2 mmt180 -134.63 -5.66 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.853 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -178.12 147.69 0.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 111.022 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.689 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.06 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 1.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.58 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 59.16 52.08 6.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 m -148.4 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -175.93 -177.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 110.964 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 54.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.809 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -111.61 -38.17 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.809 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.96 19.0 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 1.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ARG . 17.4 m -95.47 -19.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.069 -1.443 . . . . 1.0 108.337 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 9.2 p30 -84.81 -9.4 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 1.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -117.73 153.73 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.403 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.3 p90 -171.95 -156.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.403 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.7 mm-40 -171.25 80.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 99.66 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.8 mtm-85 -159.23 -78.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.826 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.01 109.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.83 110.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.2 101.06 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.0 -58.89 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 1.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.8 t30 161.97 -74.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' ARG . 15.0 mtt -60.74 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.07 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.521 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 11.6 mmt85 -130.7 -11.25 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.826 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -174.09 149.38 1.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.02 -81.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 1.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.83 -71.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 64.74 44.01 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 20' ' ' VAL . 18.8 m -145.72 92.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.77 -176.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.73 46.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.731 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -104.4 -39.11 0.19 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.731 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 12.36 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.567 1.825 . . . . 1.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.5 m -90.43 -18.07 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.031 -1.461 . . . . 1.0 108.295 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -76.75 -6.93 54.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 1.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -123.16 147.95 46.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.408 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 4.9 p90 -171.22 -159.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.27 74.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -73.85 104.13 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.576 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.7 mtm-85 -164.24 -72.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 1.0 110.325 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.876 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.19 109.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.053 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.443 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.68 111.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.08 103.13 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.86 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.47 -72.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ARG . 40.0 mtt -62.2 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -62.13 77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 111.038 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 7.5 mmt180 -132.97 -4.92 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.876 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -178.78 146.9 0.52 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.93 -83.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.45 -71.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.03 42.41 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.4 78.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -177.23 178.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 110.964 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 48.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.742 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.03 -40.27 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.742 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 13.15 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 1.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.8 m -87.66 -18.31 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.068 -1.444 . . . . 1.0 108.276 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -85.74 -14.07 46.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 1.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.47 143.68 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.2 p90 -171.09 -159.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 mm-40 -167.34 89.61 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 1.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.71 102.56 13.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.591 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -163.16 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.858 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -20.36 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 111.017 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.46 111.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -84.19 98.27 9.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -107.16 -60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 t30 162.84 -73.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.8 mtm -62.09 -168.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -59.46 78.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.6 mmt85 -134.44 -9.27 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.858 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.2 p90 -177.18 148.18 0.73 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 1.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.03 -81.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.23 -70.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 59.41 43.86 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' VAL . 15.7 m -144.83 85.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.9 178.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.49 48.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.732 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.72 -40.9 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.732 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.02 24.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 1.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.508 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.5 m -107.47 -21.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.015 -1.469 . . . . 1.0 108.28 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -82.18 -19.58 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 1.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.0 145.29 39.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.495 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.5 p90 -174.36 -160.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -168.44 97.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.58 103.82 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.2 mtm-85 -163.28 -66.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.851 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.53 108.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.17 105.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -81.21 101.7 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.37 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 167.85 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' ARG . 49.1 mtp -61.07 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -61.18 80.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 111.046 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 12.9 mmt85 -134.47 -9.05 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.851 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.41 148.67 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.98 -84.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -69.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 62.25 45.44 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 20' ' ' VAL . 19.5 m -140.21 85.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.599 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.1 -174.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.9 48.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 1.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.771 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -108.33 -38.15 0.14 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.1 Cg_endo -74.99 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 1.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.1 m -86.71 -16.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.93 -1.51 . . . . 1.0 108.289 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -77.75 -13.61 59.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 1.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -114.54 138.48 50.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.45 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.2 p90 -172.72 -162.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.1 mm-40 -163.47 91.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -84.46 100.46 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 8' ' ' TYR . 3.3 mtm-85 -159.84 -68.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.87 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -28.0 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.495 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.48 108.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -81.16 100.24 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.25 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 1.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 161.92 -70.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.4 mtm -62.75 -167.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -63.94 79.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 4.5 mmt180 -134.2 -7.72 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.87 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -174.35 147.94 1.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.717 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -75.03 -77.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 1.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -170.36 -72.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.65 39.98 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 1.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 12.1 m -146.99 97.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 169.37 179.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.37 48.86 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.763 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.76 -39.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.763 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.0 Cg_endo -75.07 4.22 4.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 1.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.66 -14.48 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.965 -1.493 . . . . 1.0 108.277 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -80.42 -18.67 48.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.19 143.63 40.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -176.41 -165.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -159.25 88.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.0 104.08 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -162.85 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.861 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.79 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 111.037 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.58 104.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 111.027 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -79.86 104.19 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.47 -63.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 167.6 -74.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' ARG . 56.5 mtm -61.03 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.64 80.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.6 mmt180 -135.49 -6.54 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 1.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.861 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -176.1 149.85 1.02 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -74.97 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 61.47 45.73 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.53 80.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.36 178.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -94.87 48.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.712 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.24 -41.11 0.17 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.712 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 11.13 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' ARG . 34.0 m -83.4 -14.85 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.025 -1.464 . . . . 1.0 108.305 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -76.66 -28.25 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 1.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -103.04 146.58 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -172.68 -157.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.7 95.65 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 1.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -93.23 106.48 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.9 mtm-85 -165.0 -68.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.65 110.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.518 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.09 106.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 111.055 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.4 mpt_? -81.22 97.03 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 1.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -103.76 -58.8 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.0 t30 163.57 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 21.2 mtm -60.07 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.05 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.958 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.2 mmt180 -132.43 -3.95 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.0 110.352 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.34 149.72 0.96 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.665 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.01 -86.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.44 -72.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 59.84 42.2 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 1.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 10.3 m -143.08 88.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.92 -177.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.37 48.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.722 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.79 -41.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.722 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 19.88 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 1.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.5 m -99.56 -15.04 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.054 -1.451 . . . . 1.0 108.293 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.435 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 2.4 p-10 -84.48 -0.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.57 150.62 41.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -170.22 -165.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 111.049 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.29 87.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.278 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -86.67 102.92 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -163.38 -68.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.47 109.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.1 112.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -85.76 102.73 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -112.99 -62.53 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.18 -73.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 15' ' ' ARG . 27.3 mtm -60.86 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.5 75.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.9 mmt85 -129.88 -9.05 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.859 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.38 148.0 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.628 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -74.96 -82.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 1.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.02 -74.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 64.03 42.39 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.97 82.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.48 -179.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 111.052 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -97.57 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.53 -35.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.782 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.0 16.51 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 23' ' ' ARG . 28.5 m -100.2 -15.13 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.049 -1.453 . . . . 1.0 108.278 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.644 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -74.05 -22.07 59.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -108.54 149.43 28.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.2 p90 -177.99 -161.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -167.65 89.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.74 102.1 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -162.33 -73.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.829 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.87 106.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 111.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.546 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.96 108.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 1.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -80.81 99.38 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 1.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.546 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.96 -67.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 169.64 -72.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 1.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ARG . 22.8 mtt -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.09 75.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 1.0 110.967 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.0 mmt180 -128.52 -11.99 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.829 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -172.79 150.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.624 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.433 1.754 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 -75.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 60.48 37.51 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 5.2 m -141.3 83.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 177.84 -174.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.644 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -101.78 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.809 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -111.08 -39.31 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 1.0 110.252 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.809 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.94 12.96 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.7 m -89.8 -18.51 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 1.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 116.972 -1.49 . . . . 1.0 108.293 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.09 -15.52 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 1.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -115.2 148.53 38.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.443 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 7.2 p90 -175.18 -158.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -173.81 95.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -86.18 106.24 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -165.17 -71.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.889 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.85 108.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.467 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.84 105.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -79.47 101.54 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.557 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -108.7 -62.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.52 -71.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 8.6 mtt -64.15 -165.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -62.89 77.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 1.0 111.0 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.557 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 3.6 mmt180 -133.62 -10.79 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.889 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -175.05 146.31 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.99 -82.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 1.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -171.13 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 67.03 48.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 1.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.1 m -148.18 83.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 178.56 -176.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.4 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 1.6 p90 -99.3 47.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.771 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.9 -39.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.99 6.64 3.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.776 . . . . 1.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.23 -22.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.036 -1.459 . . . . 1.0 108.304 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.596 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -84.47 -13.83 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 1.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -114.35 134.7 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.242 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 9.7 p90 -162.87 -159.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -174.66 80.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.34 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.35 107.06 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtm-85 -169.39 -73.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 110.239 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.847 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -25.66 105.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.27 106.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 110.975 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.1 mpt_? -80.75 102.76 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -111.51 -62.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t30 166.52 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.1 mtp -59.54 -162.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -66.26 77.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 10.2 mmt85 -133.56 -8.41 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.847 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -177.82 147.64 0.64 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.671 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.95 -84.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 1.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -76.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 63.08 38.99 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.28 84.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 178.1 175.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -96.66 47.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.77 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.01 -36.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 1.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.77 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.98 18.37 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 23' ' ' ARG . 32.5 m -101.03 -15.52 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 1.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.998 -1.477 . . . . 1.0 108.331 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.453 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.453 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 5.0 p-10 -70.5 -16.4 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 1.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.45 148.66 25.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.477 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.83 -167.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -163.43 91.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -86.69 104.59 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -166.46 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.811 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.28 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.3 105.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 1.0 110.964 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.57 103.27 11.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -113.56 -61.75 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 167.15 -76.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.7 mtp -58.65 -169.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 1.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -60.03 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' MET . 7.8 mmt85 -132.43 -6.38 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 1.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.811 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -178.37 149.64 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.957 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -75.03 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 1.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.83 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.84 43.21 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 20' ' ' VAL . 15.4 m -143.61 79.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.77 -175.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.13 47.81 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.746 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.16 -39.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.746 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.94 8.87 2.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 1.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.94 -16.77 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.014 -1.469 . . . . 1.0 108.299 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -24.48 58.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 1.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -104.02 145.61 29.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.74 -155.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 1.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -169.76 77.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 1.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.86 101.88 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.2 mtm-85 -163.32 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.84 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -18.42 110.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 1.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.68 113.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -84.14 103.29 13.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.8 -62.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t30 163.98 -72.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ARG . 28.0 mtt -62.64 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 1.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -63.17 78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 5.4 mmt85 -134.96 -6.63 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 1.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.84 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -178.85 145.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.95 -78.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 1.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -73.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 62.6 43.35 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.17 84.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 177.47 178.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.82 52.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.832 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -112.41 -38.49 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.832 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 13.36 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 23' ' ' ARG . 23.3 m -89.54 -15.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.957 -1.497 . . . . 1.0 108.301 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -77.13 -15.73 59.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 1.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -116.01 146.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.8 p90 -172.17 -159.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 1.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -169.81 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 110.259 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.78 104.82 12.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -163.43 -69.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.849 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.56 112.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 1.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.5 mpt_? -79.31 111.25 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -124.44 -63.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.412 ' CG ' ' N ' ' A' ' 13' ' ' MET . 3.7 t30 168.53 -82.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ARG . 42.3 mtt -53.5 -177.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.81 81.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' MET . 12.9 mmt85 -136.53 -9.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.849 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.61 148.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.99 -84.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.769 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.68 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.43 44.14 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.62 82.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 179.45 -178.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.16 50.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.773 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -109.07 -39.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.773 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 11.43 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.9 m -91.18 -15.91 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.017 -1.468 . . . . 1.0 108.316 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.5 p90 -174.3 -162.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -172.99 89.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 1.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.87 102.49 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -162.01 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.874 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -21.7 109.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.36 106.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -83.75 101.83 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -110.63 -59.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 164.73 -75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' ARG . 29.3 mtt -60.39 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.405 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.58 78.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.0 110.993 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.7 mmt180 -133.19 -6.56 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.874 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.94 150.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.661 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.02 -84.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 1.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.08 -70.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 58.93 44.75 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.61 82.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 176.74 178.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.01 57.75 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.864 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -116.28 -38.03 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 1.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.864 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.98 12.96 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 1.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.438 ' H ' ' C ' ' A' ' 23' ' ' ARG . 30.8 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.429 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.3 p90 -164.29 -159.23 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.21 84.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 1.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.67 103.17 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.619 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -164.54 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -15.77 106.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.995 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.424 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -43.3 105.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.6 mpt_? -80.09 104.69 10.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 1.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.487 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.51 -61.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 163.34 -72.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' ARG . 37.7 mtt -62.3 -167.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.1 78.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 mmt85 -133.53 -6.73 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -178.04 150.91 0.78 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 111.055 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -87.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 1.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.57 -71.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 59.51 49.61 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.3 m -147.5 76.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -176.6 -170.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 111.036 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.23 48.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.742 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -106.2 -38.97 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.742 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 16.32 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 1.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -172.07 -158.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.71 87.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 1.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -83.24 100.58 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtt85 -159.1 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.883 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -25.48 110.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 1.0 110.944 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.54 111.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 1.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -87.12 103.08 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.4 -59.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 164.98 -75.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 1.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' ARG . 38.8 mtt -60.31 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.65 80.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 1.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 8.0 mmt85 -135.92 -9.36 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.883 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -172.5 147.77 1.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.677 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.02 -84.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.78 -75.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 64.59 40.38 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.07 81.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 179.22 -177.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.44 50.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.754 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -108.46 -40.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.754 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 3.94 5.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.34 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 8.9 p90 -165.0 -153.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.418 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -174.19 78.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.72 105.21 6.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -164.03 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 1.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.904 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.11 105.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.8 104.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 1.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.46 101.26 8.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.56 -58.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.35 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t30 164.61 -75.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ARG . 47.3 mtt -60.12 -165.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -64.27 78.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.0 mmt85 -133.6 -8.65 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.904 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -176.81 148.93 0.82 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -86.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 1.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.92 -74.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 63.84 41.32 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.53 85.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.86 -177.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 1.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.78 51.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.773 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.71 -39.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.773 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 15.87 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 1.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 23' ' ' ARG . 29.7 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -171.27 -157.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.11 73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.16 100.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -160.98 -70.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.851 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.66 112.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 1.0 110.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.07 101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -79.98 96.84 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.329 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -105.55 -61.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 167.94 -76.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' ARG . 26.4 mtt -59.53 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -60.77 78.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.7 mmt180 -132.67 -8.58 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 1.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.851 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.42 149.26 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 111.038 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.98 -87.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 1.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.82 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 63.39 42.3 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' VAL . 16.0 m -144.86 86.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 174.54 -176.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.0 49.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.795 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.78 -37.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.795 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.809 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.3 p90 -173.7 -160.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 5.7 mm-40 -169.64 77.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.02 99.05 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.3 mtm-85 -157.68 -62.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -31.83 113.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.16 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 111.021 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.48 96.36 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -104.44 -59.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 165.08 -76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 19.3 mtt -60.38 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -58.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 3.7 mmt180 -136.86 -5.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.864 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -177.15 149.58 0.81 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 1.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.48 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 57.24 46.44 18.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' VAL . 15.7 m -145.32 80.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.78 -177.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -100.15 44.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 111.003 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.719 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -103.42 -38.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.95 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 1.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 22' ' ' TYR . 28.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -169.95 -161.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.35 77.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.93 113.86 19.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 1.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.499 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -171.0 -67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.853 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.04 107.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 111.027 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.507 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.86 108.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.0 mpt_? -81.51 101.9 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 1.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -109.66 -61.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 165.41 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ARG . 25.8 mtt -61.95 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 1.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.24 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.2 mmt180 -134.63 -5.66 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.853 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -178.12 147.69 0.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 111.022 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.689 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.06 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 1.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.58 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 59.16 52.08 6.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 m -148.4 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -175.93 -177.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 110.964 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 54.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.809 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -111.61 -38.17 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.809 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.96 19.0 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 1.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ARG . 17.4 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.403 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.3 p90 -171.95 -156.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.403 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.7 mm-40 -171.25 80.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 99.66 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.8 mtm-85 -159.23 -78.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.826 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.01 109.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.83 110.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.2 101.06 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.0 -58.89 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 1.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.8 t30 161.97 -74.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' ARG . 15.0 mtt -60.74 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.07 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.521 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 11.6 mmt85 -130.7 -11.25 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.826 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -174.09 149.38 1.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.02 -81.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 1.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.83 -71.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 64.74 44.01 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 20' ' ' VAL . 18.8 m -145.72 92.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.77 -176.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.73 46.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.731 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -104.4 -39.11 0.19 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.731 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 12.36 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.567 1.825 . . . . 1.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.5 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.408 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 4.9 p90 -171.22 -159.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.408 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.27 74.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -73.85 104.13 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.576 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.7 mtm-85 -164.24 -72.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 1.0 110.325 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.876 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.19 109.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.053 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.443 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.68 111.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.486 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.08 103.13 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.86 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.47 -72.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ARG . 40.0 mtt -62.2 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -62.13 77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 111.038 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 7.5 mmt180 -132.97 -4.92 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.876 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -178.78 146.9 0.52 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.93 -83.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.45 -71.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 61.03 42.41 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.4 78.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -177.23 178.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 110.964 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 48.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.742 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.03 -40.27 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.742 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 13.15 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 1.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.2 p90 -171.09 -159.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 mm-40 -167.34 89.61 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 1.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.71 102.56 13.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.591 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -163.16 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.858 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -20.36 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 111.017 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.46 111.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -84.19 98.27 9.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -107.16 -60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 t30 162.84 -73.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.8 mtm -62.09 -168.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -59.46 78.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.6 mmt85 -134.44 -9.27 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.858 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.2 p90 -177.18 148.18 0.73 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 1.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.03 -81.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.23 -70.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 59.41 43.86 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' VAL . 15.7 m -144.83 85.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.9 178.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.49 48.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.732 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.72 -40.9 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.732 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.02 24.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 1.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.508 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.495 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.5 p90 -174.36 -160.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -168.44 97.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.58 103.82 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.2 mtm-85 -163.28 -66.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.851 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.53 108.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.17 105.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -81.21 101.7 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.37 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 167.85 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' ARG . 49.1 mtp -61.07 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -61.18 80.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 111.046 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 12.9 mmt85 -134.47 -9.05 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.851 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.41 148.67 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.98 -84.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -69.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.25 45.44 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 20' ' ' VAL . 19.5 m -140.21 85.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.599 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.1 -174.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.9 48.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 1.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.771 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -108.33 -38.15 0.14 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.1 Cg_endo -74.99 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 1.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.1 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.45 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.2 p90 -172.72 -162.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.1 mm-40 -163.47 91.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -84.46 100.46 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 8' ' ' TYR . 3.3 mtm-85 -159.84 -68.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.87 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -28.0 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.495 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.48 108.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -81.16 100.24 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.25 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 1.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 161.92 -70.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.4 mtm -62.75 -167.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -63.94 79.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 4.5 mmt180 -134.2 -7.72 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.87 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -174.35 147.94 1.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.717 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -75.03 -77.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 1.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -170.36 -72.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.65 39.98 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 1.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 12.1 m -146.99 97.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 169.37 179.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.37 48.86 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.763 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.76 -39.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.763 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.0 Cg_endo -75.07 4.22 4.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 1.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -176.41 -165.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -159.25 88.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.0 104.08 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.569 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -162.85 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.861 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.79 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 111.037 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.58 104.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 111.027 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -79.86 104.19 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.47 -63.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.402 ' ND2' ' HG3' ' A' ' 13' ' ' MET . 2.0 t30 167.6 -74.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' ARG . 56.5 mtm -61.03 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.64 80.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.6 mmt180 -135.49 -6.54 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 1.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.861 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -176.1 149.85 1.02 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -74.97 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 61.47 45.73 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.53 80.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.36 178.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -94.87 48.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.712 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.24 -41.11 0.17 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.712 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 11.13 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' ARG . 34.0 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -172.68 -157.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' NE2' ' A' ' 19' ' ' GLN . 0.3 OUTLIER -168.7 95.65 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 1.0 110.283 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -93.23 106.48 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.9 mtm-85 -165.0 -68.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.65 110.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.518 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.09 106.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 111.055 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.4 mpt_? -81.22 97.03 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 1.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -103.76 -58.8 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.0 t30 163.57 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 21.2 mtm -60.07 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.05 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.958 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.2 mmt180 -132.43 -3.95 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.0 110.352 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.34 149.72 0.96 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.665 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.01 -86.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.44 -72.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 5' ' ' GLU . 2.7 mt-30 59.84 42.2 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 1.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 10.3 m -143.08 88.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.92 -177.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.37 48.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.722 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.79 -41.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.722 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 19.88 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 1.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -170.22 -165.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 111.049 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.29 87.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.278 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -86.67 102.92 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -163.38 -68.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.47 109.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.1 112.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -85.76 102.73 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -112.99 -62.53 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 165.18 -73.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 15' ' ' ARG . 27.3 mtm -60.86 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.5 75.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.9 mmt85 -129.88 -9.05 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.859 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.38 148.0 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.628 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -74.96 -82.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 1.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.02 -74.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 64.03 42.39 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.97 82.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.48 -179.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 111.052 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -97.57 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.53 -35.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.782 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.0 16.51 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 23' ' ' ARG . 28.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.2 p90 -177.99 -161.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -167.65 89.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.74 102.1 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -162.33 -73.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.829 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.87 106.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 111.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.546 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.96 108.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 1.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -80.81 99.38 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 1.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.546 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.96 -67.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 169.64 -72.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 1.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ARG . 22.8 mtt -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.09 75.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 1.0 110.967 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.0 mmt180 -128.52 -11.99 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.829 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -172.79 150.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.624 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.433 1.754 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 -75.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 60.48 37.51 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.411 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 5.2 m -141.3 83.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 177.84 -174.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -101.78 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.809 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -111.08 -39.31 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 1.0 110.252 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.809 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.94 12.96 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.7 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 1.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.443 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 7.2 p90 -175.18 -158.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.443 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -173.81 95.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -86.18 106.24 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -165.17 -71.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.889 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.85 108.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.467 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.84 105.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -79.47 101.54 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.557 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -108.7 -62.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.52 -71.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 8.6 mtt -64.15 -165.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -62.89 77.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 1.0 111.0 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.557 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 3.6 mmt180 -133.62 -10.79 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.889 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -175.05 146.31 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.99 -82.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 1.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -171.13 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 67.03 48.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 1.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.1 m -148.18 83.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 178.56 -176.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -99.3 47.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.771 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.9 -39.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.99 6.64 3.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.776 . . . . 1.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 9.7 p90 -162.87 -159.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -174.66 80.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.34 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.35 107.06 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtm-85 -169.39 -73.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 110.239 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.847 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -25.66 105.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.27 106.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 110.975 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.1 mpt_? -80.75 102.76 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -111.51 -62.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t30 166.52 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.1 mtp -59.54 -162.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -66.26 77.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 10.2 mmt85 -133.56 -8.41 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.847 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -177.82 147.64 0.64 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.671 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.95 -84.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 1.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -76.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 63.08 38.99 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.28 84.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 178.1 175.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.66 47.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.77 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.01 -36.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 1.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.77 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.98 18.37 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 23' ' ' ARG . 32.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 1.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.477 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.83 -167.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -163.43 91.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -86.69 104.59 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -166.46 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.811 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.28 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.3 105.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 1.0 110.964 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.57 103.27 11.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -113.56 -61.75 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 167.15 -76.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.7 mtp -58.65 -169.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 1.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -60.03 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' MET . 7.8 mmt85 -132.43 -6.38 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 1.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.811 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -178.37 149.64 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.957 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -75.03 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 1.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.83 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.84 43.21 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 20' ' ' VAL . 15.4 m -143.61 79.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.77 -175.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.13 47.81 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.746 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.16 -39.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.746 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.94 8.87 2.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 1.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.74 -155.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 1.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -169.76 77.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 1.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.86 101.88 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.2 mtm-85 -163.32 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.84 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -18.42 110.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 1.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.68 113.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -84.14 103.29 13.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.8 -62.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t30 163.98 -72.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ARG . 28.0 mtt -62.64 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 1.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -63.17 78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 5.4 mmt85 -134.96 -6.63 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 1.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.84 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -178.85 145.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.95 -78.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 1.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -73.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 62.6 43.35 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.17 84.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 177.47 178.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.82 52.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.832 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -112.41 -38.49 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.832 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 13.36 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 23' ' ' ARG . 23.3 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.8 p90 -172.17 -159.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 1.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -169.81 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 110.259 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.78 104.82 12.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -163.43 -69.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.849 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.56 112.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 1.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.5 mpt_? -79.31 111.25 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -124.44 -63.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.412 ' CG ' ' N ' ' A' ' 13' ' ' MET . 3.7 t30 168.53 -82.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ARG . 42.3 mtt -53.5 -177.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.81 81.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' MET . 12.9 mmt85 -136.53 -9.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.849 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.61 148.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.99 -84.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.769 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.68 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.43 44.14 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.62 82.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 179.45 -178.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.16 50.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.773 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -109.07 -39.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.773 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 11.43 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -76.09 -21.09 57.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 1.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -106.33 151.82 24.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.5 p90 -174.3 -162.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 1.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -172.99 89.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 1.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.87 102.49 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -162.01 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.874 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -21.7 109.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.36 106.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -83.75 101.83 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -110.63 -59.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 164.73 -75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' ARG . 29.3 mtt -60.39 -169.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 1.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.405 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.58 78.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.0 110.993 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.7 mmt180 -133.19 -6.56 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.874 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.94 150.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.661 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.02 -84.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 1.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.08 -70.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 58.93 44.75 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 1.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.61 82.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 176.74 178.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.01 57.75 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.864 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -116.28 -38.03 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 1.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.864 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.98 12.96 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 1.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.438 ' H ' ' C ' ' A' ' 23' ' ' ARG . 30.8 m -93.98 -21.06 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.971 -1.49 . . . . 1.0 108.316 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.529 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -80.16 -5.64 56.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -126.65 139.82 52.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.429 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.3 p90 -164.29 -159.23 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 1.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.21 84.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 1.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.67 103.17 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.619 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -164.54 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -15.77 106.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.995 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -43.3 105.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.6 mpt_? -80.09 104.69 10.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 1.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.487 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.51 -61.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 110.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 163.34 -72.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' ARG . 37.7 mtt -62.3 -167.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.1 78.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 mmt85 -133.53 -6.73 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -178.04 150.91 0.78 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.0 111.055 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -87.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 1.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.57 -71.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 59.51 49.61 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.3 m -147.5 76.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -176.6 -170.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 111.036 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -104.23 48.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 111.024 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.742 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -106.2 -38.97 0.17 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.742 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 16.32 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.2 m -94.8 -14.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.991 -1.481 . . . . 1.0 108.334 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -71.89 -12.33 61.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.59 143.32 45.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 1.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -172.07 -158.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.71 87.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 1.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -83.24 100.58 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtt85 -159.1 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 1.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.883 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -25.48 110.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 1.0 110.944 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.54 111.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 1.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -87.12 103.08 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.4 -59.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 164.98 -75.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 1.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' ARG . 38.8 mtt -60.31 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.65 80.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 1.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 8.0 mmt85 -135.92 -9.36 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.883 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -172.5 147.77 1.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.677 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.02 -84.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.78 -75.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 64.59 40.38 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.07 81.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 179.22 -177.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.44 50.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.754 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -108.46 -40.1 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 1.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.754 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 3.94 5.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 1.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -75.16 -18.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 1.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.989 -1.481 . . . . 1.0 108.262 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -69.76 -21.17 63.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.46 142.01 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 8.9 p90 -165.0 -153.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -174.19 78.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.72 105.21 6.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -164.03 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 1.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.904 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.11 105.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.8 104.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 1.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.46 101.26 8.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.56 -58.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 110.35 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t30 164.61 -75.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ARG . 47.3 mtt -60.12 -165.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -64.27 78.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.0 mmt85 -133.6 -8.65 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.904 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -176.81 148.93 0.82 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -86.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 1.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.92 -74.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 63.84 41.32 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.53 85.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.86 -177.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 1.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.78 51.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.773 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.71 -39.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.773 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 15.87 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 1.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 23' ' ' ARG . 29.7 m -101.3 -13.77 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.007 -1.473 . . . . 1.0 108.282 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.7 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -72.28 -21.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 1.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.29 144.43 31.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.078 . . . . 1.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -171.27 -157.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.11 73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.16 100.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -160.98 -70.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.851 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.66 112.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 1.0 110.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.07 101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -79.98 96.84 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 110.329 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.53 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -105.55 -61.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 167.94 -76.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' ARG . 26.4 mtt -59.53 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -60.77 78.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.7 mmt180 -132.67 -8.58 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 1.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.851 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.42 149.26 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 111.038 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.98 -87.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 1.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.82 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 63.39 42.3 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' VAL . 16.0 m -144.86 86.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 174.54 -176.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.7 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 0.4 OUTLIER -99.0 49.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.795 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.78 -37.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.795 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.809 . . . . 1.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -79.62 -17.78 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.996 -1.478 . . . . 1.0 108.35 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -79.44 -25.53 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 1.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -103.79 150.13 24.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.3 p90 -173.7 -160.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 5.7 mm-40 -169.64 77.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.02 99.05 5.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 1.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.3 mtm-85 -157.68 -62.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -31.83 113.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.16 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 111.021 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.48 96.36 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 1.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -104.44 -59.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 165.08 -76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 19.3 mtt -60.38 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -58.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 3.7 mmt180 -136.86 -5.63 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.864 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -177.15 149.58 0.81 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -75.01 -80.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 1.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.48 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 57.24 46.44 18.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' VAL . 15.7 m -145.32 80.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.78 -177.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -100.15 44.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 111.003 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.719 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -103.42 -38.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -74.95 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 1.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 22' ' ' TYR . 28.0 m -76.0 -20.07 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.008 -1.472 . . . . 1.0 108.347 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.475 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.475 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 9.7 p-10 -71.99 -23.99 61.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 1.0 109.35 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.02 154.5 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -169.95 -161.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.35 77.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.93 113.86 19.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 1.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -171.0 -67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.853 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.04 107.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 111.027 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.507 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.86 108.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.0 mpt_? -81.51 101.9 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 1.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -109.66 -61.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 165.41 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ARG . 25.8 mtt -61.95 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 1.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.24 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.2 mmt180 -134.63 -5.66 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.853 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -178.12 147.69 0.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 111.022 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.689 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.06 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 1.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.58 -73.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 1.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 59.16 52.08 6.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 m -148.4 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -175.93 -177.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 110.964 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 54.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.809 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -111.61 -38.17 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.809 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.96 19.0 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 1.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ARG . 17.4 m -95.47 -19.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.069 -1.443 . . . . 1.0 108.337 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 3.4 p-10 -84.81 -9.4 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 1.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -117.73 153.73 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.403 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.3 p90 -171.95 -156.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.403 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.7 mm-40 -171.25 80.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 99.66 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.8 mtm-85 -159.23 -78.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.826 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.01 109.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.83 110.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.2 101.06 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 1.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.0 -58.89 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 1.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.8 t30 161.97 -74.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' ARG . 15.0 mtt -60.74 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 1.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.07 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 1.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.521 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 11.6 mmt85 -130.7 -11.25 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.826 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -174.09 149.38 1.46 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.02 -81.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 1.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.83 -71.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 64.74 44.01 3.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 20' ' ' VAL . 18.8 m -145.72 92.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.77 -176.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 1.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.73 46.86 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.731 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -104.4 -39.11 0.19 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.731 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 12.36 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.567 1.825 . . . . 1.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.5 m -90.43 -18.07 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.031 -1.461 . . . . 1.0 108.295 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -76.75 -6.93 54.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 1.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -123.16 147.95 46.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.408 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 4.9 p90 -171.22 -159.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -170.27 74.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -73.85 104.13 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 1.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.576 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.7 mtm-85 -164.24 -72.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 1.0 110.325 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.876 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.19 109.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.053 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.443 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.68 111.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.7 mpt_? -84.08 103.13 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.86 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.47 -72.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ARG . 40.0 mtt -62.2 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -62.13 77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 111.038 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 7.5 mmt180 -132.97 -4.92 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.876 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -178.78 146.9 0.52 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.93 -83.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 1.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.45 -71.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 61.03 42.41 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.4 78.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -177.23 178.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 110.964 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 48.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.742 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.03 -40.27 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.742 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 13.15 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 1.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.8 m -87.66 -18.31 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.068 -1.444 . . . . 1.0 108.276 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -85.74 -14.07 46.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 1.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.47 143.68 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 3.2 p90 -171.09 -159.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 mm-40 -167.34 89.61 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 1.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.71 102.56 13.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.591 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -163.16 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.858 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -20.36 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 1.0 111.017 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.46 111.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -84.19 98.27 9.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -107.16 -60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 t30 162.84 -73.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.8 mtm -62.09 -168.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -59.46 78.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.6 mmt85 -134.44 -9.27 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.858 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.2 p90 -177.18 148.18 0.73 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 1.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -75.03 -81.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.23 -70.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 59.41 43.86 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' VAL . 15.7 m -144.83 85.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 1.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.9 178.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.49 48.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.732 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.72 -40.9 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.732 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.02 24.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 1.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.508 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.5 m -107.47 -21.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.015 -1.469 . . . . 1.0 108.28 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -82.18 -19.58 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 1.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.0 145.29 39.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.495 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.5 p90 -174.36 -160.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -168.44 97.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.58 103.82 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.2 mtm-85 -163.28 -66.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.851 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.53 108.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.17 105.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.97 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -81.21 101.7 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -110.37 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 167.85 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' ARG . 49.1 mtp -61.07 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -61.18 80.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 111.046 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 12.9 mmt85 -134.47 -9.05 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.851 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -175.41 148.67 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.98 -84.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -69.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.25 45.44 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 20' ' ' VAL . 19.5 m -140.21 85.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.599 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 176.1 -174.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.9 48.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 1.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.771 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -108.33 -38.15 0.14 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 1.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.1 Cg_endo -74.99 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 1.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ARG . 27.1 m -86.71 -16.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.93 -1.51 . . . . 1.0 108.289 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -77.75 -13.61 59.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 1.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -114.54 138.48 50.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.45 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.2 p90 -172.72 -162.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.1 mm-40 -163.47 91.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -84.46 100.46 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 8' ' ' TYR . 3.3 mtm-85 -159.84 -68.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.87 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -28.0 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.495 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.48 108.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -81.16 100.24 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.25 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 1.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 t30 161.92 -70.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 1.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.4 mtm -62.75 -167.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -63.94 79.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 1.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 4.5 mmt180 -134.2 -7.72 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.87 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -174.35 147.94 1.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.717 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -75.03 -77.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 1.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -170.36 -72.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.65 39.98 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 1.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 12.1 m -146.99 97.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 169.37 179.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.37 48.86 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.763 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.76 -39.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.763 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.0 Cg_endo -75.07 4.22 4.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 1.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.66 -14.48 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.965 -1.493 . . . . 1.0 108.277 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -80.42 -18.67 48.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.19 143.63 40.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -176.41 -165.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -159.25 88.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.0 104.08 13.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -162.85 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.861 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -22.79 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 111.037 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.58 104.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 111.027 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -79.86 104.19 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -113.47 -63.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.402 ' ND2' ' HG3' ' A' ' 13' ' ' MET . 2.0 t30 167.6 -74.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' ARG . 56.5 mtm -61.03 -167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.64 80.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 6.6 mmt180 -135.49 -6.54 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 1.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.861 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -176.1 149.85 1.02 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.1 Cg_endo -74.97 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 1.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 61.47 45.73 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.53 80.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.36 178.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -94.87 48.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.712 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.24 -41.11 0.17 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 1.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.712 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 11.13 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 1.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' ARG . 34.0 m -83.4 -14.85 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.025 -1.464 . . . . 1.0 108.305 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -76.66 -28.25 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 1.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -103.04 146.58 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -172.68 -157.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' NE2' ' A' ' 19' ' ' GLN . 0.3 OUTLIER -168.7 95.65 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 1.0 110.283 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -93.23 106.48 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.9 mtm-85 -165.0 -68.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.869 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.65 110.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.518 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -48.09 106.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 111.055 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.4 mpt_? -81.22 97.03 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 1.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -103.76 -58.8 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.0 t30 163.57 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ARG . 21.2 mtm -60.07 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -61.05 78.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.958 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' MET . 8.2 mmt180 -132.43 -3.95 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.0 110.352 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.869 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -176.34 149.72 0.96 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.665 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -75.01 -86.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.44 -72.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 5' ' ' GLU . 2.7 mt-30 59.84 42.2 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 1.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 10.3 m -143.08 88.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 174.92 -177.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.37 48.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.722 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -106.79 -41.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.722 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.03 19.88 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 1.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.5 m -99.56 -15.04 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.054 -1.451 . . . . 1.0 108.293 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.435 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 2.4 p-10 -84.48 -0.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.57 150.62 41.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -170.22 -165.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 111.049 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.29 87.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 1.0 110.278 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -86.67 102.92 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -163.38 -68.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -29.47 109.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.479 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -45.1 112.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 1.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.1 mpt_? -85.76 102.73 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -112.99 -62.53 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 165.18 -73.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 15' ' ' ARG . 27.3 mtm -60.86 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -59.5 75.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' MET . 9.9 mmt85 -129.88 -9.05 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.859 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.38 148.0 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.628 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -74.96 -82.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 1.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.02 -74.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 64.03 42.39 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.97 82.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -178.48 -179.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 111.052 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -97.57 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.53 -35.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.782 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.0 16.51 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 23' ' ' ARG . 28.5 m -100.2 -15.13 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.049 -1.453 . . . . 1.0 108.278 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.644 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -74.05 -22.07 59.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -108.54 149.43 28.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 7.2 p90 -177.99 -161.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -167.65 89.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 1.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.74 102.1 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -162.33 -73.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.829 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.87 106.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 111.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.546 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -42.96 108.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 1.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -80.81 99.38 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 1.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.546 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -108.96 -67.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 169.64 -72.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 1.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ARG . 22.8 mtt -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -61.09 75.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 1.0 110.967 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' MET . 6.0 mmt180 -128.52 -11.99 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.829 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -172.79 150.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.985 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.624 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.98 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.433 1.754 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 -75.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 60.48 37.51 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' C ' ' CG ' ' A' ' 21' ' ' TYR . 5.2 m -141.3 83.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 177.84 -174.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.644 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -101.78 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.809 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -111.08 -39.31 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 1.0 110.252 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.809 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.94 12.96 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 23' ' ' ARG . 33.7 m -89.8 -18.51 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 1.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 116.972 -1.49 . . . . 1.0 108.293 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.09 -15.52 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 1.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -115.2 148.53 38.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.443 ' HB2' ' H ' ' A' ' 5' ' ' GLU . 7.2 p90 -175.18 -158.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' H ' ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -173.81 95.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -86.18 106.24 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -165.17 -71.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.889 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -21.85 108.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.467 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -46.84 105.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.3 mpt_? -79.47 101.54 8.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.557 ' HG3' ' CG ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -108.7 -62.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 165.52 -71.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 8.6 mtt -64.15 -165.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -62.89 77.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 1.0 111.0 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.557 ' CG ' ' HG3' ' A' ' 11' ' ' GLU . 3.6 mmt180 -133.62 -10.79 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 1.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.889 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.4 p90 -175.05 146.31 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.3 Cg_endo -74.99 -82.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 1.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -171.13 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 67.03 48.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 1.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.1 m -148.18 83.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 178.56 -176.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 111.015 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.4 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 1.6 p90 -99.3 47.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.771 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -108.9 -39.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.99 6.64 3.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.776 . . . . 1.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.23 -22.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.036 -1.459 . . . . 1.0 108.304 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.596 ' H1 ' ' HB3' ' A' ' 22' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -84.47 -13.83 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 1.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -114.35 134.7 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 109.242 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 9.7 p90 -162.87 -159.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -174.66 80.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 1.0 110.34 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.35 107.06 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.3 mtm-85 -169.39 -73.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 110.239 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.847 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -25.66 105.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -44.27 106.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 110.975 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.1 mpt_? -80.75 102.76 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -111.51 -62.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t30 166.52 -74.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.1 mtp -59.54 -162.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -66.26 77.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 10.2 mmt85 -133.56 -8.41 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.847 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.3 p90 -177.82 147.64 0.64 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.671 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.2 Cg_endo -74.95 -84.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 1.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -76.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 63.08 38.99 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.28 84.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 1.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 178.1 175.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -96.66 47.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 1.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.77 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.01 -36.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 1.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.77 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.98 18.37 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 23' ' ' ARG . 32.5 m -101.03 -15.52 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 1.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.998 -1.477 . . . . 1.0 108.331 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.453 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.453 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 5.0 p-10 -70.5 -16.4 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 1.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.45 148.66 25.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.477 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.83 -167.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -163.43 91.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -86.69 104.59 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -166.46 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.811 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -27.28 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.3 105.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 1.0 110.964 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -81.57 103.27 11.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -113.56 -61.75 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 167.15 -76.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ARG . 14.7 mtp -58.65 -169.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 1.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -60.03 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' MET . 7.8 mmt85 -132.43 -6.38 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 1.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.811 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -178.37 149.64 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.957 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.5 Cg_endo -75.03 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 1.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.83 -72.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.84 43.21 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 20' ' ' VAL . 15.4 m -143.61 79.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -178.77 -175.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.13 47.81 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.746 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -107.16 -39.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.746 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.94 8.87 2.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 1.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.94 -16.77 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.014 -1.469 . . . . 1.0 108.299 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -24.48 58.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 1.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -104.02 145.61 29.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 5.6 p90 -170.74 -155.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 1.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 4.9 mm-40 -169.76 77.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 1.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.86 101.88 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' O ' ' C ' ' A' ' 8' ' ' TYR . 1.2 mtm-85 -163.32 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.84 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -18.42 110.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 1.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -47.68 113.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 2.2 mpt_? -84.14 103.29 13.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.8 -62.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t30 163.98 -72.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ARG . 28.0 mtt -62.64 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 1.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -63.17 78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' CB ' ' HG3' ' A' ' 11' ' ' GLU . 5.4 mmt85 -134.96 -6.63 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 1.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.84 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -178.85 145.83 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.95 -78.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 1.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -73.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 62.6 43.35 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.17 84.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 177.47 178.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.82 52.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.832 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -112.41 -38.49 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.832 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -74.98 13.36 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 1.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 23' ' ' ARG . 23.3 m -89.54 -15.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.957 -1.497 . . . . 1.0 108.301 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -77.13 -15.73 59.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 1.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -116.01 146.65 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 4.8 p90 -172.17 -159.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 1.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -169.81 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.0 110.259 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.78 104.82 12.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 8' ' ' TYR . 2.0 mtm-85 -163.43 -69.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.849 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -26.56 112.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 1.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 8' ' ' TYR . 1.5 mpt_? -79.31 111.25 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -124.44 -63.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.412 ' CG ' ' N ' ' A' ' 13' ' ' MET . 3.7 t30 168.53 -82.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ARG . 42.3 mtt -53.5 -177.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.81 81.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 1.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' MET . 12.9 mmt85 -136.53 -9.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.849 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . 1.1 p90 -175.61 148.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 8' ' ' TYR . 18.4 Cg_endo -74.99 -84.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.769 . . . . 1.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.68 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.43 44.14 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.62 82.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' CD1' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 179.45 -178.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.16 50.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.773 ' H ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -109.07 -39.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.773 ' CD ' ' H ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -74.97 11.43 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 23' ' ' ARG . 35.9 m -91.18 -15.91 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.017 -1.468 . . . . 1.0 108.316 -179.991 . . . . . . . . 0 0 . 1 stop_ save_